SCHEMBL930287

SCHEMBL930287

Cc1c(-c2ccc(C(=O)NN)cc2)cc[n+]([O-])c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MAPT P10636 6/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK14 Q16539 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MPO P05164 2/20 0.41
CYP3A4 P08684 2/20 0.41
GFER P55789 2/20 0.41
KDM5A P29375 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 4/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 2/20 0.41
LMNA P02545 2/20 0.40
OGG1 O15527 1/20 0.40
TACR1 P25103 1/20 0.39

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
SCHEMBL931522 0.81 TDP1 (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL752600 0.70 MPO (0.70) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL14238637 0.69 ALDH1A1 (0.60) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL2678949 0.68 MPO (0.80) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL19304542 0.68 MAPT (0.74) ALDH1A1MAPTL3MBTL1MAPK14MEN1
SCHEMBL343630 0.68 MPO (0.80) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL1535943 0.67 PLK1 (0.70) ALDH1A1MAPTL3MBTL1MPOCYP3A4
SCHEMBL11313330 0.67 MPO (0.54) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL136524 0.66 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL27661901 0.66 MAPT (0.72) ALDH1A1MAPTL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875615-B2 3-(4-Fluoro-2-methyl-phenyl)-6-[5-methoxymethyl-4-(6-methoxy-pyridin-3-yl)-4H-[1,2,4]triazol-3-yl]-pyridazine; treatment of male sexual dysfunction, female sexual dysfunction, hypoactive sexual desire disorder, sexual arousal disorder, orgasmic disorder, sexual pain disorder, or premature ejaculation PFIZER INC (US) 2011-01-25 US disclosed
US-7875615-B2 3-(4-Fluoro-2-methyl-phenyl)-6-[5-methoxymethyl-4-(6-methoxy-pyridin-3-yl)-4H-[1,2,4]triazol-3-yl]-pyridazine; treatment of male sexual dysfunction, female sexual dysfunction, hypoactive sexual desire disorder, sexual arousal disorder, orgasmic disorder, sexual pain disorder, or premature ejaculation PFIZER INC (US) 2011-01-25 US disclosed
US-20100063064-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC 2010-03-11 US disclosed
US-20100063064-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC 2010-03-11 US disclosed
US-7649003-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2010-01-19 US disclosed
US-7649003-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2010-01-19 US disclosed
US-20080108625-A1 Substituted Triazole Derivatives as Oxytocin Antagonists PFIZER INC 2008-05-08 US disclosed
US-20080108625-A1 Substituted Triazole Derivatives as Oxytocin Antagonists PFIZER INC 2008-05-08 US disclosed
US-7291640-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2007-11-06 US disclosed
US-7291640-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2007-11-06 US disclosed
US-20050107382-A1 e.g. 2-(4-fluoro-2-methylphenyl)-5-(5-methoxymethyl-4-(6-methoxypyridin-3-yl)-4H-[1,2,4]triazol-3-yl)-pyridine; treatment of arousal disorder, orgasmic disorder, sexual pain disorder and premature ejaculation, preterm labor, appetite and feeding disorders, dysmenorrhoea, congestive heart failure, etc. PFIZER INC. 2005-05-19 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-20100063064-A1 Substituted Triazole Derivatives As Oxytocin Antagonists OXTR, PRLHR, KISS1R ALDH1A1 3640/4885MAPT 2060/4885L3MBTL1 4172/4885
US-20050107382-A1 e.g. 2-(4-fluoro-2-methylphenyl)-5-(5-methoxymethyl-4-(6-methoxypyridin-3-yl)-4H-[1,2,4]triazol-3-yl)-pyridine; treatment of arousal disorder, orgasmic disorder, sexual pain disorder and premature ejaculation, preterm labor, appetite and feeding disorders, dysmenorrhoea, congestive heart failure, etc. OXTR, OPRL1, NPY4R ALDH1A1 2633/4885MAPT 3672/4885L3MBTL1 2050/4885
US-20080108625-A1 Substituted Triazole Derivatives as Oxytocin Antagonists OXTR, PRLHR, KISS1R ALDH1A1 3640/4885MAPT 2060/4885L3MBTL1 4172/4885

“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.