SCHEMBL687610

SCHEMBL687610

COc1ccc(Cl)c2sc(N)nc12

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
ALDH1A1 P00352 7/20 0.57
ILK Q13418 1/20 0.56
CYP3A4 P08684 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HMOX1 P09601 1/20 0.42
HMOX2 P30519 1/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
PDE10A Q9Y233 1/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
FBP1 P09467 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL10721828 0.88 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1ILKCYP3A4TDP1
SCHEMBL4128905 0.88 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1ILKCYP3A4TDP1
SCHEMBL6875429 0.83 TDP1 (0.56) SMN1; SMN2ALDH1A1ILKCYP3A4TDP1
SCHEMBL12109840 0.81 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1ILKHMOX1HMOX2
SCHEMBL5206462 0.81 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1ILKCYP3A4TDP1
SCHEMBL3052909 0.81 TDP1 (0.48) SMN1; SMN2ALDH1A1ILKCYP3A4TDP1
SCHEMBL21902256 0.80 CYP3A4 (0.53) SMN1; SMN2ALDH1A1ILKCYP3A4TDP1
SCHEMBL3037816 0.80 CYP3A4 (0.53) SMN1; SMN2ALDH1A1ILKCYP3A4TDP1
SCHEMBL3042793 0.80 CYP3A4 (0.53) SMN1; SMN2ALDH1A1ILKCYP3A4TDP1
SCHEMBL6664363 0.80 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1CYP3A4MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434720-B2 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents DIRMIRA (CANADA), INC. (US) 2016-09-06 US disclosed
US-20140350009-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA (CANADA), INC. (US) 2014-11-27 US disclosed
US-8754233-B2 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents DERMIRA (CANADA), INC. (US) 2014-06-17 US disclosed
US-20130237572-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA (CANADA), INC. (US) 2013-09-12 US disclosed
US-8410272-B2 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents DERMIRA (CANADA), INC. (US) 2013-04-02 US disclosed
EP-1542997-B1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA CANADA INC (CA) 2012-02-29 EP disclosed
US-20110178126-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Valocor Therapeutics, Inc. (CA) 2011-07-21 US disclosed
US-7973051-B2 Aminothiazoles as FBPase inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2011-07-05 US disclosed
US-7847101-B2 such as (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine, used in the treatment of disorders associated with hyperproliferation and tissue remodelling or repair, inflammation, cell migration and invasion, and renal diseases, or as protein kinase inhibitors Valocor Therapeutics, Inc. (CA) 2010-12-07 US disclosed
EP-2227468-A1 AMINOTHIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
EP-1112275-B1 NOVEL HETEROAROMATIC INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE METABASIS THERAPEUTICS INC (US) 2003-07-30 EP disclosed
US-20030073728-A1 Combination of FBPase inhibitors and antidiabetic agents useful for the treatment of diabetes METABASIS THERAPEUTICS, INC. 2003-04-17 US disclosed
US-6489476-B1 FRUCTOSE-1,6-BISPHOSPHATASE ENZYME INHIBITORS ARE USEFUL IN THE TREATMENT OF DIABETES AND OTHER CONDITIONS ASSOCIATED WITH ELEVATED BLOOD GLUCOSE OR EXCESS GLYCOGEN STORAGE. METABASIS THERAPEUTICS, INC. 2002-12-03 US disclosed
US-20020173490-A1 Novel bisamidate phosphonate prodrugs METABASIS THERAPEUTICS, INC. 2002-11-21 US disclosed
EP-1143955-A3 A COMBINATION OF FBPase INHIBITORS AND INSULIN SENSITIZERS FOR THE TREATMENT OF DIABETES Metabasis Therapeutics Inc. (US) 2002-08-28 EP disclosed
WO-2002003978-A2 A COMBINATION OF FBPase INHIBITORS AND ANTIDIABETIC AGENTS USEFUL FOR THE TREATMENT OF DIABETES METABASIS THERAPEUTICS, INC. (US) 2002-01-17 WO disclosed
EP-1143955-A2 A COMBINATION OF FBPase INHIBITORS AND INSULIN SENSITIZERS FOR THE TREATMENT OF DIABETES Metabasis Therapeutics Inc. (US) 2001-10-17 EP disclosed
EP-1112275-A1 NOVEL HETEROAROMATIC INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE Metabasis Therapeutics, Inc. (US) 2001-07-04 EP disclosed
WO-2000038666-A2 A COMBINATION OF FBPase INHIBITORS AND INSULIN SENSITIZERS FOR THE TREATMENT OF DIABETES METABASIS THERAPEUTICS, INC. (US) 2000-07-06 WO disclosed
WO-2000014095-A1 NOVEL HETEROAROMATIC INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 2000-03-16 WO 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 (5 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-20030073728-A1 Combination of FBPase inhibitors and antidiabetic agents useful for the treatment of diabetes FBP1, ALDOA, G6PC1 SMN1; SMN2 4424/4885ALDH1A1 2627/4885ILK 4806/4885
US-20020173490-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, G6PC1 SMN1; SMN2 2797/4885ALDH1A1 852/4885ILK 4635/4885
US-20110178126-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS REN, PGF, PKD1 SMN1; SMN2 4082/4885ALDH1A1 652/4885ILK 1603/4885
US-20130237572-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH SMN1; SMN2 4700/4885ALDH1A1 280/4885ILK 4705/4885
US-20140350009-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH SMN1; SMN2 4700/4885ALDH1A1 280/4885ILK 4705/4885

“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.