SCHEMBL6506291

SCHEMBL6506291

NCCCNC(=O)c1ccc(C(=O)NC(CC(=O)OC(=O)C(F)(F)F)c2ccccc2)s1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.43
HDAC4 P56524 5/20 0.43
HDAC1 Q13547 5/20 0.43
HDAC6 Q9UBN7 5/20 0.43
MMP12 P39900 4/20 0.40
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR1D P28221 1/20 0.35
OPRD1 P41143 1/20 0.35
P2RY14 Q15391 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BRD4 O60885 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL6504643 0.86 MMP12 (0.46) HDAC3HDAC4HDAC1HDAC6MMP12
SCHEMBL6502810 0.83 MMP12 (0.47) HDAC3HDAC4HDAC1HDAC6MMP12
SCHEMBL6492615 0.75 L3MBTL1 (0.42) HDAC3HDAC4HDAC1HDAC6NPC1
SCHEMBL6495148 0.73 MMP12 (0.46) HDAC3HDAC4HDAC1HDAC6MMP12
SCHEMBL5151191 0.71 ALDH1A1 (0.46) HTR1DALDH1A1
SCHEMBL13059979 0.71 NPC1 (0.44) HDAC3HDAC4HDAC1HDAC6NPC1
SCHEMBL6503102 0.68 NPC1 (0.38) HDAC3HDAC4HDAC1HDAC6NPC1
SCHEMBL3835287 0.68 GPR139 (0.48)
SCHEMBL6806814 0.67 ITGAV (0.52) HDAC3HDAC4HDAC1HDAC6
SCHEMBL6953332 0.67 SMN1; SMN2 (0.39) SMN1; SMN2

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 HDAC3 221/4885HDAC4 311/4885HDAC1 100/4885

“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.