SCHEMBL5488695

SCHEMBL5488695

CC(=O)Nc1nc(CC(=O)Nc2ncc([N+](=O)[O-])s2)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.57
RAB9A P51151 8/20 0.57
MEN1 O00255 8/20 0.57
LMNA P02545 7/20 0.57
NPC1 O15118 7/20 0.57
ALDH1A1 P00352 6/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
MAPT P10636 8/20 0.55
HTT P42858 4/20 0.55
CASP7 P55210 2/20 0.52
CASP6 P55212 2/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
CCNK O75909 1/20 0.50
DDB1 Q16531 1/20 0.50
CDK12 Q9NYV4 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
MAPK1 P28482 1/20 0.48
NPY1R P25929 1/20 0.47
TDP1 Q9NUW8 2/20 0.47

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
SCHEMBL5602524 0.90 RAB9A (0.58) KMT2ARAB9AMEN1LMNANPC1
SCHEMBL24101425 0.82 CCNK (0.66) KMT2ARAB9AMEN1NPC1ALDH1A1
Nithiamide SCHEMBL158858 0.82 NPC1 (0.63) KMT2ARAB9AMEN1LMNANPC1
SCHEMBL5490457 0.81 SMN1; SMN2 (0.52) KMT2ARAB9AMEN1LMNANPC1
SCHEMBL8246883 0.80 LMNA (0.49) KMT2ARAB9AMEN1LMNANPC1
SCHEMBL5484301 0.80 CDK2 (0.57) KMT2ARAB9AMEN1LMNANPC1
SCHEMBL5484375 0.79 CCNE1 (0.51) KMT2ARAB9AMEN1NPC1ALDH1A1
SCHEMBL5482981 0.77 CCNK (0.48) KMT2ARAB9AMEN1LMNANPC1
SCHEMBL5487537 0.75 CCNK (0.46) KMT2ARAB9AMEN1LMNANPC1
SCHEMBL6366716 0.75 CCNK (0.46) KMT2ARAB9AMEN1LMNANPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100410245-C Arylmethyl-carbonylamino-thiazole derivatives and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2008-08-13 CN disclosed
EP-1204649-B1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-10-17 EP disclosed
US-20050004120-A1 Arylmethyl-carbonylamino-thiazole derivatives and their use as antitumor agents PHARMACIA ITALIS S.P.A. (IT) 2005-01-06 US disclosed
US-6784198-B1 2-(ARYLMETHYL-CARBONYLAMINO)-1,3-THIAZOLE DERIVATIVES; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA ITALIA S.P.A. (IT) 2004-08-31 US disclosed
CN-1425009-A Arylmethyl-carbonylamino-thiazole derivatives and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2003-06-18 CN disclosed
EP-1204649-A1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-15 EP disclosed
WO-2001014353-A1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA, S.P.A. (IT) 2001-03-01 WO disclosed
US-6114365-A Arylmethyl-carbonylamino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2000-09-05 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 (1 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-20050004120-A1 Arylmethyl-carbonylamino-thiazole derivatives and their use as antitumor agents CCAR2, BCL2, ROS1 KMT2A 1612/4885RAB9A 2955/4885MEN1 3816/4885

“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.