SCHEMBL170100

SCHEMBL170100

Oc1ccccc1-n1ccnn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
NOTUM Q6P988 13/20 0.46
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
KCNMA1 Q12791 1/20 0.41
KEAP1 Q14145 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
CHRNB2 P17787 1/20 0.39
CYP2B6 P20813 1/20 0.39
MAOA P21397 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR3A P46098 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31245628 1.00 IDO1 (0.47) IDO1NOTUMGAAHTTKCNMA1
Hydrochloric Acid SCHEMBL23291646 0.98 IDO1 (0.46) IDO1NOTUMGAAHTTKCNMA1
SCHEMBL17373622 0.83 NOTUM (0.42) IDO1NOTUMKEAP1CYP1A2CYP2C9
SCHEMBL27613715 0.82 NOTUM (0.44) IDO1NOTUMKEAP1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL23291644 0.82 NOTUM (0.41) IDO1NOTUMKEAP1CYP1A2CYP2C9
SCHEMBL10535430 0.81 HSPA5 (0.50) IDO1NOTUMKCNMA1KEAP1CYP2C19
SCHEMBL4071976 0.78 NOTUM (0.46) NOTUMKEAP1CYP1A2CYP2C9CHRNB2
SCHEMBL454021 0.76 GAA (0.47) NOTUMGAAHTTKEAP1CYP1A2
SCHEMBL20605667 0.76 NOTUM (0.50) NOTUMKEAP1CYP1A2CYP2C9CHRNB2
SCHEMBL241942 0.76 NOTUM (0.50) NOTUMKEAP1CYP1A2CYP2C9CHRNB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 610 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024490-B2 Polymeric metal chelating compositions and methods of preparing same for controlling growth and activities of living cells and organisms for therapeutic use in treating diseases in animals, fish or humans CHELATION PARTNERS INCORPORATED (CA) 2024-07-02 US claimed
CN-111757851-B Microporous-mesoporous hierarchical zeolite material and preparation method and application thereof 北京大学深圳研究生院 2022-03-18 CN claimed
US-20220002250-A1 POLYMERIC METAL CHELATING COMPOSITIONS AND METHODS OF PREPARING SAME FOR CONTROLLING GROWTH AND ACTIVITIES OF LIVING CELLS AND ORGANISMS FOR THERAPEUTIC USE IN TREATING DISEASES IN ANIMALS, FISH OR HUMANS JUBILANT CHEMSYS LTD. (IN) 2022-01-06 US claimed
CN-113527937-A Water-based organic nano ink applied to organic thin film device and preparation method thereof 深创高新产业研究中心(深圳)有限公司 2021-10-22 CN claimed
US-11059785-B2 Polymeric metal chelating compositions and methods of preparing same for controlling growth and activities of living cells and organisms CHELATION PARTNERS INCORPORATED (CA) 2021-07-13 US claimed
EP-3814357-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2021-05-05 EP claimed
CN-112318907-A Preparation method of levofloxacin and sodium chloride injection high-barrier soft bag 湖北多瑞药业有限公司 2021-02-05 CN claimed
CN-111757851-A Microporous-mesoporous hierarchical zeolite material and preparation method and application thereof 北京大学深圳研究生院 2020-10-09 CN claimed
EP-3504188-A1 POLYMERIC METAL CHELATING COMPOSITIONS AND METHODS OF PREPARING SAME FOR CONTROLLING GROWTH AND ACTIVITIES OF LIVING CELLS AND ORGANISMS Chelation Partners Incorporated (CA) 2019-07-03 EP claimed
US-20190169126-A1 POLYMERIC METAL CHELATING COMPOSITIONS AND METHODS OF PREPARING SAME FOR CONTROLLING GROWTH AND ACTIVITIES OF LIVING CELLS AND ORGANISMS CHELATION PARTNERS INCORPORATED (CA) 2019-06-06 US claimed
WO-2015193915-A1 NOVEL 1,2,3 TRIAZOLE ANTIFUNGAL AGENTS AND PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-23 WO claimed
EP-2034996-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2009-03-18 EP claimed
WO-2007139955-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO claimed
US-6677483-B2 DISSOLVING DIETHYLENETRIAMINEPENTAACETIC- BISANHYDRIDE OF FORMULA IN DIMETHYL SULFOXIDE OR IN DIMETHYLFORMAMIDE OR IN A MIXTURE; ADDING SOLUBILIZER, AN AUXILIARY BASE AND A MONOAMINE OR DIAMINE, HEATING SCHERING AG (DE) 2004-01-13 US claimed
EP-1353897-A1 METHOD FOR PRODUCING DTPA MONOAMIDES SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-22 EP claimed
EP-1257588-A2 COATING COMPOSITIONS CONTAINING SUBSTITUTED AND UNSUBSTITUTED EXOMETHYLENE LACTONE OR LACTAM MONOMERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2002-11-20 EP claimed
US-20020155065-A1 Process for the production of monoamides of DTPA SCHERING AG (DE) 2002-10-24 US claimed
WO-2002059076-A1 METHOD FOR PRODUCING DTPA MONOAMIDES SCHERING AKTIENGESELLSCHAFT (DE) 2002-08-01 WO claimed
WO-2001064793-A2 COATING COMPOSITIONS CONTAINING SUBSTITUTED AND UNSUBSTITUTED EXOMETHYLENE LACTONE OR LACTAM MONOMERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2001-09-07 WO claimed
US-5955005-A ULTRAVIOLET ABSORBERS FOR TEXTILES USING BENZOPHENONE ALCOHOLS CLARIANT FINANCE (BVI) LIMITED (VG) 1999-09-21 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220002250-A1 POLYMERIC METAL CHELATING COMPOSITIONS AND METHODS OF PREPARING SAME FOR CONTROLLING GROWTH AND ACTIVITIES OF LIVING CELLS AND ORGANISMS FOR THERAPEUTIC USE IN TREATING DISEASES IN ANIMALS, FISH OR HUMANS TFRC, HMBS, PICALM IDO1 3994/4885NOTUM 1301/4885GAA 202/4885
US-12024490-B2 Polymeric metal chelating compositions and methods of preparing same for controlling growth and activities of living cells and organisms for therapeutic use in treating diseases in animals, fish or humans TFRC, HMBS, PICALM IDO1 3994/4885NOTUM 1301/4885GAA 202/4885
US-20020155065-A1 Process for the production of monoamides of DTPA NAAA, PAM, DNPEP IDO1 108/4885NOTUM 2235/4885GAA 932/4885
US-11059785-B2 Polymeric metal chelating compositions and methods of preparing same for controlling growth and activities of living cells and organisms PICALM, HMBS, TFRC IDO1 3714/4885NOTUM 594/4885GAA 488/4885
US-20190169126-A1 POLYMERIC METAL CHELATING COMPOSITIONS AND METHODS OF PREPARING SAME FOR CONTROLLING GROWTH AND ACTIVITIES OF LIVING CELLS AND ORGANISMS PICALM, HMBS, TFRC IDO1 3714/4885NOTUM 594/4885GAA 488/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.