SCHEMBL774946

SCHEMBL774946

CN(C(=O)O)c1nc2cc(C(=O)c3cccs3)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
CYP2C9 P11712 3/20 0.48
ABL1 P00519 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
ADORA2A P29274 2/20 0.48
ADORA1 P30542 2/20 0.48
TP53 P04637 2/20 0.48
TSHR P16473 2/20 0.48
MAPT P10636 2/20 0.48
GMNN O75496 1/20 0.48
TUBB4A P04350 1/20 0.48
CYP1A2 P05177 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
NFKB1 P19838 1/20 0.48
MAOA P21397 1/20 0.48
MAPK1 P28482 1/20 0.48
THPO P40225 1/20 0.48

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
SCHEMBL3390263 0.91 ALDH1A1 (0.59) NPC1CYP2C9ABL1ALDH1A1LMNA
SCHEMBL4279399 0.83 HPGD (0.51) NPC1CYP2C9ABL1ALDH1A1LMNA
SCHEMBL11768573 0.81 CHEK2 (0.41) CYP2C9ABL1ALDH1A1LMNAHTT
SCHEMBL1108963 0.81 NPC1 (0.54) NPC1CYP2C9ABL1ALDH1A1LMNA
SCHEMBL8954685 0.79 KDR (0.45) NPC1CYP2C9ABL1ALDH1A1LMNA
SCHEMBL11766590 0.77 MAP2K1 (0.44) NPC1CYP2C9ABL1ALDH1A1LMNA
SCHEMBL11768642 0.77 KMT2A (0.46) NPC1ABL1ALDH1A1LMNAHPGD
SCHEMBL11096785 0.77 TDP1 (0.35) ALDH1A1HTTMAPTNPSR1CHEK2
SCHEMBL21981201 0.77 NPC1 (0.50) NPC1CYP2C9ABL1ALDH1A1LMNA
SCHEMBL4204424 0.77 NPC1 (0.64) NPC1CYP2C9ABL1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2012-03-22 US claimed
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents Compass Pharmaceuticals LLC. (US) 2011-07-21 US claimed
EP-0024842-B1 METHYL (5-(2-THIENYLHYDROXYMETHYL)-1H-BENZIMIDAZOL-2-YL) CARBAMATE, PROCESS FOR ITS PREPARATION AND COMPOSITIONS CONTAINING IT SMITHKLINE BECKMAN CORPORATION (US) 1983-10-05 EP claimed
US-20130101616-A1 COMPOSITIONS OF BOTANICAL EXTRACTS FOR CANCER THERAPY DAO JAMES (US) 2013-04-25 US disclosed
US-8173177-B2 From Ganoderma lucidum, Salvia miltiorrhiza, and Scutellaria barbata GENYOUS BIOMED INTERNATIONAL INC. (US) 2012-05-08 US disclosed
US-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2012-03-22 US disclosed
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents Compass Pharmaceuticals LLC. (US) 2011-07-21 US disclosed
US-20090264533-A1 Methods and Compositions for Modulating RHO-Mediated Gene Transcription THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2009-10-22 US disclosed
EP-1663103-A4 COMPOSITIONS OF BOTANICAL EXTRACTS FOR CANCER THERAPY GENYOUS BIOMED INTERNAT INC (US) 2009-09-09 EP disclosed
US-20090143279-A1 Methods and compositions for treating metabolic disorders PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-06-04 US disclosed
EP-1667528-A4 HIPPOPHAE RHAMNOIDES COMPOSITIONS FOR CANCER THERAPY GENYOUS BIOMED INTERNAT INC (US) 2007-10-24 EP disclosed
US-20030013703-A1 Upregulation of type III endothelial cell nitric oxide synthase by agents that disrupt actin cytoskeletal organization LIAO JAMES K (US) 2003-01-16 US disclosed
US-20020143042-A1 Method and composition for treating cancer using cellular organelle crystallizing agents KONG QINGZHONG (US) 2002-10-03 US disclosed
US-6423751-B1 PROVIDED THE AGENT IS NOT A RHO GTPASE FUNCTION INHIBITOR; TREATING PULMONARY HYPERTENSION, ISCHEMIC STROKE, IMPOTENCE, HEART FAILURE, RENAL DISEASE, ESOPHAGEAL MOTILITY SYNDROME THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2002-07-23 US disclosed
US-20020082281-A1 UPREGULATION OF TYPE III ENDOTHELIAL CELL NITRIC OXIDE SYNTHASE BY AGENTS THAT DISRUPT ACTIN CYTOSKELETAL ORGANIZATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-06-27 US disclosed
US-6376525-B1 Tetrazolium salts and derivatives, preferably tetrazolium red and tetrazolium violet, in combination with chemotherapeutic agents delivered in a polylactic acid carrier; noninvasive antitumor treatments KONG QINGZHONG (US) 2002-04-23 US disclosed
EP-1070140-A1 COMPOSITIONS AND METHODS FOR TREATING CELLS HAVING DOUBLE MINUTE DNA Newbiotics Inc. (US) 2001-01-24 EP disclosed
WO-2000003746-A2 UPREGULATION OF TYPE III ENDOTHELIAL CELL NITRIC OXIDE SYNTHASE BY AGENTS THAT DISRUPT ACTIN CYTOSKELETAL ORGANIZATION THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2000-01-27 WO disclosed
WO-1999035292-A1 COMPOSITIONS AND METHODS FOR TREATING CELLS HAVING DOUBLE MINUTE DNA NEWBIOTICS, INC. (US) 1999-07-15 WO disclosed
US-4533672-A Amino, cyano phenylthio or phenoxyl indole derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-08-06 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 (4 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-20090264533-A1 Methods and Compositions for Modulating RHO-Mediated Gene Transcription RHOA, RHOXF2, CDC42 NPC1 1366/4885CYP2C9 4852/4885ABL1 975/4885
US-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 NPC1 4661/4885CYP2C9 4858/4885ABL1 2764/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 NPC1 4661/4885CYP2C9 4858/4885ABL1 2764/4885
US-20090143279-A1 Methods and compositions for treating metabolic disorders PC, PCK2, CS NPC1 335/4885CYP2C9 3845/4885ABL1 2326/4885

“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.