SCHEMBL7026536

SCHEMBL7026536

CNCc1cccc(CO)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.53
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP3A4 P08684 1/20 0.52
PRMT6 Q96LA8 7/20 0.50
EPHX2 P34913 1/20 0.47
ENPP2 Q13822 1/20 0.45
HTR7 P34969 1/20 0.45
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
ALOX12 P18054 1/20 0.42
TSHR P16473 1/20 0.42
PRKCI P41743 1/20 0.41
NOS3 P29474 2/20 0.41

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
SCHEMBL1697126 0.89 MAPT (0.64) NOS1MAPTKDM4ECYP3A4PRMT6
Hydrochloric Acid SCHEMBL3273205 0.86 MAPT (0.68) NOS1MAPTKDM4ECYP3A4PRMT6
SCHEMBL14409172 0.81 PRMT6 (0.63) NOS1MAPTKDM4ECYP3A4PRMT6
SCHEMBL123838 0.81 TSHR (0.61) NOS1ENPP2PRSS1PRSS2PRSS3
SCHEMBL8441355 0.80 KDM4E (0.54) NOS1MAPTKDM4ECYP3A4PRMT6
SCHEMBL14326991 0.79 TAAR1 (0.61) MAPTKDM4EALDH1A1LMNATSHR
SCHEMBL9999688 0.79 ENPP2 (0.54) NOS1ENPP2PRSS1PRSS2PRSS3
SCHEMBL24292849 0.78 MAPT (0.52) NOS1MAPTKDM4ECYP3A4PRMT6
SCHEMBL8617312 0.78 MAPT (0.64) NOS1MAPTKDM4ECYP3A4PRMT6
SCHEMBL20987907 0.78 MAPT (0.52) NOS1MAPTKDM4ECYP3A4PRMT6

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190153620-A1 LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2019-05-23 US disclosed
WO-2015106292-A1 BCR-ABL TYROSINE-KINASE LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2015-07-16 WO disclosed
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 US disclosed
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 US disclosed
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-7250413-B2 C-25 carbamate rifamycin derivatives with activity against drug-resistant microbes CUMBRE PHARMACEUTICALS INC. (US) 2007-07-31 US disclosed
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP disclosed
US-5021429-A Histamine h2-antagonists; antisecretory-antiallergen agent; skin disorders and peptic ulcers ALLEN & HANSBURYS LIMITED (GB) 1991-06-04 US 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 (3 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-20190153620-A1 LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME VDR, TRPM8, TRPM7 NOS1 4325/4885MAPT 4579/4885KDM4E 4436/4885
US-20120220577-A1 GLYCINE B ANTAGONISTS GLRB, GRIN2B, GLRA2 NOS1 4122/4885MAPT 1202/4885KDM4E 4569/4885
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE KCNT1, KCNMA1, KCNJ2 NOS1 824/4885MAPT 158/4885KDM4E 262/4885

“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.