SCHEMBL188630

SCHEMBL188630

N=[C]c1ccccc1[C]=N

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
APP P05067 1/20 0.32
CYP2A6 P11509 1/20 0.31
ALOX12 P18054 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL19887 0.85
SCHEMBL837076 0.79
SCHEMBL20535740 0.78
SCHEMBL7514359 0.78
SCHEMBL5865111 0.74 CA1 (0.47) TSHRCYP2A6MEN1ALDH1A1CYP1A2
SCHEMBL10871468 0.73 CA1 (0.55) TSHRAPPALOX12KDM4EALDH1A1
SCHEMBL7959927 0.71 ALDH1A1 (0.56) TSHRKDM4ENPC1ALDH1A1MAPT
SCHEMBL1161988 0.67
Naphthalene SCHEMBL28380495 0.64 CYP2A6 (0.67) TSHRCYP2A6ALOX12ALDH1A1CYP1A2
Naphthalene SCHEMBL5426389 0.64 CYP2A6 (0.67) TSHRCYP2A6ALOX12ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020162345-A1 DIBENZOPYRROMETHENE BORON CHELATE COMPOUND, NEAR-INFRARED ABSORBING MATERIAL, ORGANIC THIN FILM AND ORGANIC ELECTRONIC DEVICE 日本化薬株式会社 2020-08-13 WO claimed
EP-2061450-B1 METHODS OF MODULATING CELL PROLIFERATION AND CYST FORMATION IN POLYCYSTIC KIDNEY AND LIVER DISEASES MEDICAL COLLEGE WISCONSIN INC (US) 2017-04-19 EP claimed
US-20170101410-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS, INC. 2017-04-13 US claimed
US-9440982-B2 Substituted prolines/piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2016-09-13 US claimed
EP-2811997-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS Eolas Therapeutics Inc. (US) 2014-12-17 EP claimed
US-8859581-B2 Azaheterocyclic compounds as kinase inhibitors MERCK PATENT GMBH (DE) 2014-10-14 US claimed
EP-1753762-B1 LEWIS ACID MEDIATED SYNTHESIS OF CYCLIC ESTERS METABASIS THERAPEUTICS INC (US) 2014-03-19 EP claimed
WO-2013119639-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS, INC. (US) 2013-08-15 WO claimed
US-20100216787-A1 THIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-08-26 US claimed
US-7687470-B2 Avermectin and avermectin monosaccharide substituted in the 4″- and 4″ position respectively SYNGENTA CROP PROTECTION, INC. (US) 2010-03-30 US claimed
US-5559128-A FOOD ANIMALS; MEDICAL DIAGNOSIS MERCK & CO., INC. (US) 1996-09-24 US claimed
EP-0563916-B1 (1H-Indol-1-yl)-2-(amino)acetamides and related (1H-indol-1-yl)-(aminoalkyl)amides, intermediates and a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1995-08-16 EP claimed
US-5302739-A Chemical intermediates, herbicides KUMIAI CHEMICAL INDUSTRY CO. (JP) 1994-04-12 US claimed
EP-0563916-A1 (1H-Indol-1-yl)-2-(amino)acetamides and related (1H-indol-1-yl)-(aminoalkyl)amides, intermediates and a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-10-06 EP claimed
US-5242895-A Antigrowth agents for plants KUMIAI CHEMICAL CO. (JP) 1993-09-07 US claimed
EP-0540612-A1 HETEROBIFUNCTIONAL REAGENTS AND CONJUGATES WITH OXAALKYLENE UNITS FOR AMPHIPHILIC BRIDGE STRUCTURES Pharmacia AB (SE) 1993-05-12 EP claimed
US-5118339-A PYRIMIDINE DERIVATIVES AND HERBICIDAL COMPOSITION CONTAINING THE SAME KUMIAI CHEMICAL CO. (JP) 1992-06-02 US claimed
WO-1992001474-A1 HETEROBIFUNCTIONAL REAGENTS AND CONJUGATES WITH OXAALKYLENE UNITS FOR AMPHIPHILIC BRIDGE STRUCTURES KABI PHARMACIA AB (SE) 1992-02-06 WO claimed
EP-0435170-A2 Pyrimidine or triazine derivatives and herbicidal composition containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-07-03 EP claimed
EP-0113599-B1 PROCESS FOR THE ORGANIC SYNTHESIS OF OLIGONUCLEOTIDES CONTAINING GALACTOSAMIN-URON-ACID MOTIVES, OLIGOSACCHARIDES OBTAINED AND THEIR BIOLOGICAL APPLICATIONS CHOAY S.A. (FR) 1989-02-01 EP 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 (2 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-20170101410-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OPRL1 TSHR 521/4885APP 133/4885CYP2A6 2520/4885
US-20100216787-A1 THIAZOLE DERIVATIVE TGFBR1, TGFBR2, SMAD3 TSHR 148/4885APP 1386/4885CYP2A6 2124/4885

“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.