SCHEMBL394335

SCHEMBL394335

COc1ccc(-c2cc(=S)n(Cc3ccc(F)cc3)nc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 5/20 0.47
HTT P42858 3/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALOX12 P18054 2/20 0.47
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
NTSR1 P30989 1/20 0.47
PAX8 Q06710 1/20 0.47
TLR9 Q9NR96 1/20 0.47
MET P08581 2/20 0.45
KCNK3 O14649 1/20 0.43
CASP1 P29466 3/20 0.42
CYP1A2 P05177 2/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.42
MEN1 O00255 3/20 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
SCHEMBL393821 0.93 ALDH1A1 (0.43) KMT2AALDH1A1HTTMAPTNPSR1
SCHEMBL395602 0.88 CYP1A2 (0.50) KMT2AALDH1A1HTTMAPTNPSR1
SCHEMBL3940559 0.87 MEN1 (0.42) KMT2AALDH1A1HTTNPSR1KDM4E
SCHEMBL390849 0.86 KMT2A (0.53) KMT2AALDH1A1HTTMAPTNPSR1
SCHEMBL3940126 0.85 KCNK3 (0.42) KMT2AALDH1A1HTTMAPTNPSR1
SCHEMBL393896 0.84 GCGR (0.47) KMT2AHTTNPSR1USP2MEN1
SCHEMBL3947721 0.83 TUBB4A (0.45) KMT2AHTTMEN1SMN1; SMN2
SCHEMBL3943100 0.81 KMT2A (0.49) KMT2AALDH1A1HTTMAPTNPSR1
SCHEMBL396392 0.81 MEN1 (0.43) KMT2AALDH1A1MAPTKDM4EPOLB
SCHEMBL3940439 0.80 KMT2A (0.46) KMT2AALDH1A1HTTMAPTNPSR1

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-8101207-B2 Composition containing medicine extremely slightly soluble in water and method for preparation thereof KOWA CO., LTD. (JP) 2012-01-24 US disclosed
US-20090270399-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS KOWA CO., LTD. (JP) 2009-10-29 US disclosed
EP-1043317-B1 PYRIDAZINE DERIVATIVES AND MEDICAMENTS CONTAINING THEM AS ACTIVE INGREDIENT KOWA CO (JP) 2009-04-15 EP disclosed
US-20090069332-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS KOWA CO., LTD. (JP) 2009-03-12 US disclosed
EP-2017266-A1 Pyridazine derivatives and medicines containing the same as effective ingredients Kowa Co., Ltd. (JP) 2009-01-21 EP disclosed
US-20080119474-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS KOWA CO., LTD. (JP) 2008-05-22 US disclosed
US-20070208025-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS KOWA CO., LTD. (JP) 2007-09-06 US disclosed
US-20070049595-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2007-03-01 US disclosed
US-20060160804-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2006-07-20 US disclosed
US-20050267113-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2005-12-01 US disclosed
US-20050065155-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2005-03-24 US disclosed
US-20040147516-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2004-07-29 US disclosed
US-20020123496-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2002-09-05 US disclosed
US-6348468-B1 THESE COMPOUNDS HAVE EXCELLENT INHIBITORY ACTIVITY AGAINST INTERLEUKIN-1.BETA. PRODUCTION, IMMUNE SYSTEM DISEASES, INFLAMMATORY DISEASES, ISCHEMIC DISEASES AND THE LIKE. KOWA CO., LTD. (JP) 2002-02-19 US disclosed
EP-1043317-A1 NOVEL PYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Kowa Co., Ltd. (JP) 2000-10-11 EP 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 (10 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-20070208025-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 KMT2A 3295/4885ALDH1A1 626/4885HTT 3829/4885
US-20050267113-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, IL1R1, IRAK1 KMT2A 3727/4885ALDH1A1 461/4885HTT 3286/4885
US-20090270399-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 KMT2A 3265/4885ALDH1A1 539/4885HTT 3839/4885
US-20050065155-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, TLR1, IRAK1 KMT2A 3177/4885ALDH1A1 464/4885HTT 4022/4885
US-20040147516-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, IRAK1, TLR1 KMT2A 3861/4885ALDH1A1 391/4885HTT 4076/4885
US-20070049595-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, TLR1, IRAK1 KMT2A 3177/4885ALDH1A1 464/4885HTT 4022/4885
US-20060160804-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, TLR1, IRAK1 KMT2A 3177/4885ALDH1A1 464/4885HTT 4022/4885
US-20090069332-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 KMT2A 3265/4885ALDH1A1 539/4885HTT 3839/4885
US-20020123496-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, IRAK1, TLR1 KMT2A 3861/4885ALDH1A1 391/4885HTT 4076/4885
US-20080119474-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 KMT2A 3295/4885ALDH1A1 626/4885HTT 3829/4885

“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.