SCHEMBL249335

SCHEMBL249335

NC(=O)N(S)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC5 Q9UQL6 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
SCHEMBL3726837 0.80 HTT (0.53) KMT2AHTTNPC1RAB9AHSD17B10
SCHEMBL8668737 0.78 TSHR (0.46) KMT2AHTTNPC1RAB9AHSD17B10
SCHEMBL366007 0.77 P2RX7 (0.37) KMT2ATSHRCES2CES1L3MBTL1
SCHEMBL7368446 0.77 CYP2D6 (0.46) KMT2AHTTNPC1RAB9AHSD17B10
SCHEMBL6902506 0.77 NPC1 (0.42) KMT2AHTTNPC1RAB9AHSD17B10
Hydrochloric Acid SCHEMBL27945127 0.76 LIPE (0.45) KMT2AHTTNPC1RAB9AHSD17B10
SCHEMBL15993719 0.76 P2RX7 (0.41) TDP1
SCHEMBL10854694 0.74 KMT2A (0.47) KMT2AHTTNPC1RAB9AHSD17B10
SCHEMBL3475461 0.74 NPSR1 (0.47) KMT2AHTTNPC1RAB9AHSD17B10
SCHEMBL1889093 0.73 ADORA3 (0.47) KMT2AHTTNPC1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10087173-B2 Substituted aminothiazoles as inhibitors of cancers, including hepatocellular carcinoma, and as inhibitors of hepatitis virus replication BARUCH S. BLUMBERG INSTITUTE 2018-10-02 US disclosed
US-20170066758-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION INSTITUTE FOR HEPATITIS AND VIRUS RESEARCH 2017-03-09 US disclosed
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US disclosed
EP-2727910-B1 Pyridin-2-yl-thiourea and Pyridin-2-yl-amine derivatives as intermediates for the preparation of Pyridin-2yl-amino-1,2,4-thiadiazole glucokinase activators ARRAY BIOPHARMA INC (US) 2016-03-16 EP disclosed
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-06 US disclosed
US-20140249154-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION BARUCH S. BLUMBERG INSTITUTE 2014-09-04 US disclosed
EP-2727910-A1 Pyridin-2-yl-thiourea and Pyridin-2-yl-amine derivatives as intermediates for the preparation of Pyridin-2yl-amino-1,2,4-thiadiazole glucokinase activators Array Biopharma, Inc. (US) 2014-05-07 EP disclosed
US-8513430-B2 Substituted thiazol-2-ylamine derivatives, pharmaceutical compositions, and methods of use as 11-beta HSD1 modulators HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-20 US disclosed
WO-2013033037-A2 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-07 WO disclosed
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
US-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 US disclosed
WO-2005066180-A9 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-09-25 WO disclosed
US-20070184067-A1 Alimentary compositions and methods for metabolic modulation VDF FUTURECEUTICALS 2007-08-09 US disclosed
US-20070161582-A1 Pharmaceutical compositions and methods for metabolic modulation VDF FUTURECEUTICALS 2007-07-12 US disclosed
WO-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO disclosed
EP-1701960-A1 CYSTEINE PROTEASE INHIBITORS Medivir Aktiebolag (SE) 2006-09-20 EP disclosed
WO-2005066180-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-07-21 WO disclosed
WO-2005020892-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR METABOLIC MODULATION MITOCHROMA RESEARCH, INC. (US) 2005-03-10 WO disclosed
WO-2005016268-A2 ALIMENTARY COMPOSITIONS AND METHODS FOR METABOLIC MODULATION MITOCHROMA RESEARCH, INC. (US) 2005-02-24 WO disclosed
US-4188218-A Images formed by decomposition of Te (II) coordination complexes EASTMAN KODAK COMPANY (US) 1980-02-12 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 (7 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-20080234260-A1 Cysteine Protease inhibitors CTSS, CTSZ, CTSK KMT2A 1492/4885HTT 3387/4885NPC1 482/4885
US-10087173-B2 Substituted aminothiazoles as inhibitors of cancers, including hepatocellular carcinoma, and as inhibitors of hepatitis virus replication HDGF, HCCS, BCAT1 KMT2A 281/4885HTT 633/4885NPC1 1954/4885
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS PRNP, PSEN1, PSEN2 KMT2A 4582/4885HTT 15/4885NPC1 57/4885
US-20140249154-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION HCCS, BCAT1, AADAT KMT2A 309/4885HTT 927/4885NPC1 2125/4885
US-20070161582-A1 Pharmaceutical compositions and methods for metabolic modulation GPR119, PRKAG2, PRKAG1 KMT2A 2730/4885HTT 4224/4885NPC1 330/4885
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP9, MMP2 KMT2A 2435/4885HTT 1672/4885NPC1 4815/4885
US-20170066758-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF CANCERS, INCLUDING HEPATOCELLULAR CARCINOMA, AND AS INHIBITORS OF HEPATITIS VIRUS REPLICATION HDGF, HCCS, BCAT1 KMT2A 281/4885HTT 633/4885NPC1 1954/4885

“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.