SCHEMBL6495013

SCHEMBL6495013

CCN(Nc1ccccn1)C(=O)c1ccc(C(=O)OC)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.41
RAB9A P51151 8/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 2/20 0.39
MITF O75030 1/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 3/20 0.38
PKM P14618 3/20 0.38
TP53 P04637 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.37
F2 P00734 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL6500208 0.90 KDM4E (0.45) NPC1RAB9ASMN1; SMN2KMT2AMITF
SCHEMBL16789045 0.73 CXCR4 (0.45) NPC1RAB9ASMN1; SMN2KMT2AMITF
SCHEMBL6495007 0.72 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KMT2AMITF
SCHEMBL1588116 0.72 HPGD (0.51) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL6455153 0.70 ALDH1A1 (0.50) SMN1; SMN2KMT2AMAPK1NPSR1HPGD
SCHEMBL1587018 0.69 HPGD (0.67) NPC1RAB9ASMN1; SMN2KMT2AHPGD
SCHEMBL23867580 0.68 CYP2C19 (0.41) NPC1RAB9ASMN1; SMN2KMT2AHPGD
SCHEMBL656907 0.68 KDM4E (0.71) NPC1RAB9ANPSR1LMNAALDH1A1
SCHEMBL70027 0.67 NPSR1 (0.67) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL1587411 0.67 NPSR1 (0.53) NPC1RAB9ASMN1; SMN2KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960594-B2 Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer SHIRE BIOCHEM INC. (CA) 2005-11-01 US disclosed
EP-1091952-B1 THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER IAF BIOCHEM INT (CA) 2003-10-29 EP disclosed
US-20020137947-A1 Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer BIOCHEM PHARMA INC. 2002-09-26 US disclosed
EP-1091952-A1 THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER BIOCHEM PHARMA INC (CA) 2001-04-18 EP disclosed
WO-2000000486-A1 THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER BIOCHEM PHARMA INC. (US) 2000-01-06 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 (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-20020137947-A1 Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer ITGB5, ITGB2, ITGA2 NPC1 4753/4885RAB9A 1966/4885SMN1; SMN2 4632/4885

“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.