SCHEMBL931369

SCHEMBL931369

COCCOCC(=O)NNC(=O)c1ccc(Cl)nc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPT P10636 2/20 0.43
PKM P14618 2/20 0.43
NPC1 O15118 2/20 0.43
POLB P06746 2/20 0.43
NAPRT Q6XQN6 1/20 0.43
EGFR P00533 1/20 0.42

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
SCHEMBL930669 0.89 L3MBTL1 (0.57) TDP1GAASMN1; SMN2MEN1KMT2A
SCHEMBL931150 0.86 TDP1 (0.52) TDP1GAASMN1; SMN2MEN1KMT2A
SCHEMBL930959 0.79 TDP1 (0.58) TDP1GAASMN1; SMN2MEN1KMT2A
SCHEMBL13527490 0.75 RAB9A (0.56) TDP1GAASMN1; SMN2MEN1KMT2A
SCHEMBL931076 0.75 TDP1 (0.61) TDP1GAASMN1; SMN2MEN1KMT2A
SCHEMBL14501101 0.75 ALDH1A1 (0.56) TDP1GAASMN1; SMN2KMT2AL3MBTL1
SCHEMBL16109895 0.74 ALDH1A1 (0.67) TDP1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL3533267 0.73 LMNA (0.62) SMN1; SMN2MEN1KMT2ARAB9AL3MBTL1
SCHEMBL5637576 0.70 PKM (0.50) TDP1GAASMN1; SMN2MEN1KMT2A
SCHEMBL64640 0.70 MAPK1 (0.65) TDP1GAASMN1; SMN2MEN1KMT2A

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 17 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-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-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-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-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-7291640-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2007-11-06 US disclosed
WO-2005028452-A9 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LTD (GB) 2005-07-21 WO 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 TDP1 375/4885GAA 4379/4885SMN1; SMN2 2465/4885
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 TDP1 1444/4885GAA 3939/4885SMN1; SMN2 1147/4885
US-20080108625-A1 Substituted Triazole Derivatives as Oxytocin Antagonists OXTR, PRLHR, KISS1R TDP1 375/4885GAA 4379/4885SMN1; SMN2 2465/4885

“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.