SCHEMBL403028

SCHEMBL403028

CSc1ccc(-c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.63
ALDH1A3 P47895 1/20 0.53
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS1 P23219 3/20 0.46
HAO1 Q9UJM8 1/20 0.46
GSK3B P49841 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
MAPK1 P28482 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP3 P08254 1/20 0.43

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
SCHEMBL17283465 1.00 PTGS2 (0.63) PTGS2ALDH1A3ALDH1A1MEN1KMT2A
Hydrogen Sulfide SCHEMBL19086306 0.97 PTGS2 (0.61) PTGS2ALDH1A3ALDH1A1MEN1KMT2A
Bicarbonate SCHEMBL29125500 0.91 PTGS2 (0.60) PTGS2ALDH1A3MEN1KMT2AHAO1
SCHEMBL27299439 0.91 PTGS2 (0.55) PTGS2ALDH1A3ALDH1A1MEN1KMT2A
Bicarbonate SCHEMBL28112658 0.91 PTGS2 (0.60) PTGS2ALDH1A3MEN1KMT2AHAO1
Biphenyl SCHEMBL27610807 0.91 PTGS2 (0.55) PTGS2ALDH1A3ALDH1A1MEN1KMT2A
SCHEMBL10528160 0.88 ALDH1A1 (0.50) PTGS2ALDH1A1PTGS1HAO1
SCHEMBL10300271 0.88 ALDH1A1 (0.50) PTGS2ALDH1A1PTGS1HAO1
SCHEMBL6247727 0.87 PTGS2 (0.57) PTGS2ALDH1A3ALDH1A1MEN1KMT2A
SCHEMBL19114473 0.87 PTGS2 (0.52) PTGS2ALDH1A3ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114031565-A N, N' -disubstituted dihydrophenazine-based compound and preparation method and application thereof 华东理工大学 2022-02-11 CN claimed
CN-111875525-A Cationic sulfoxide intermediate, polyarylene sulfide monomer and preparation method of polyarylene sulfide 财团法人工业技术研究院 2020-11-03 CN claimed
CN-106986803-A Cationic sulfoxide intermediate, polyarylene sulfide monomer and preparation method of polyarylene sulfide 财团法人工业技术研究院 2017-07-28 CN claimed
EP-4570317-A2 COMPOUNDS FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE Intervet International B.V. (NL) 2025-06-18 EP disclosed
US-12227485-B2 Compounds useful for the treatment of infection with Mannheimia haemolytica or Histophilus somni INTERVET INC. (US) 2025-02-18 US disclosed
US-12157717-B2 Compounds for the treatment of bovine or swine respiratory disease INTERVET INC. (US) 2024-12-03 US disclosed
US-12077488-B2 Compounds useful for treating a Mannheimia haemolytica or Histophilus somni infection INTERVET INC. (US) 2024-09-03 US disclosed
EP-4212519-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LT Materials Co., Ltd. (KR) 2023-07-19 EP disclosed
WO-2023115327-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION 中国药科大学 2023-06-29 WO disclosed
US-20230200227-A1 ORGANIC ELECTROLUMINESCENT DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-06-22 US disclosed
CN-110072844-B Compounds for the treatment of infection by Mannheimia haemolytica or histophilus somni 英特维特国际股份有限公司 2023-06-02 CN disclosed
EP-1294657-A2 CATALYSIS USING PHOSPHINE OXIDE AND SULFOXIDE COMPOUNDS E. I. du Pont de Nemours and Company (US) 2003-03-26 EP disclosed
US-20020137974-A1 Catalysis using phosphine oxide and sulfoxide compounds DUPONT POLYMERS, INC. 2002-09-26 US disclosed
US-6410594-B1 VIRICIDES BIOCRYST PHARMACEUTICALS, INC. 2002-06-25 US disclosed
WO-2002000574-A2 CATALYSIS USING PHOSPHINE OXIDE AND SULFOXIDE COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-01-03 WO disclosed
CN-1227466-A Substituted cyclopentane compounds useful as neuraminidase inhibitors BIOCRYST PHARM INC (US) 1999-09-01 CN disclosed
EP-0933993-A1 SUBSTITUTED CYCLOPENTANE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS INC. (US) 1999-08-11 EP disclosed
WO-1997047194-A1 SUBSTITUTED CYCLOPENTANE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 1997-12-18 WO disclosed
EP-0794942-A1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-09-17 EP disclosed
WO-1996016934-A1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-06-06 WO disclosed

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

For each of this compound's patents that has machine-readable text (4 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-12077488-B2 Compounds useful for treating a Mannheimia haemolytica or Histophilus somni infection SORD, HEXD, SNRPD1 PTGS2 772/4885ALDH1A3 712/4885ALDH1A1 1559/4885
US-20020137974-A1 Catalysis using phosphine oxide and sulfoxide compounds TST, GSS, ARSA PTGS2 1085/4885ALDH1A3 2317/4885ALDH1A1 2774/4885
US-12227485-B2 Compounds useful for the treatment of infection with Mannheimia haemolytica or Histophilus somni SORD, HEXD, SNRPD1 PTGS2 1037/4885ALDH1A3 1119/4885ALDH1A1 2263/4885
US-12157717-B2 Compounds for the treatment of bovine or swine respiratory disease PIGS, BTD, PPARD PTGS2 927/4885ALDH1A3 784/4885ALDH1A1 845/4885

“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.