SCHEMBL3615501

SCHEMBL3615501

COCCN(Cc1ccc(Br)cc1)C(=O)COC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
ALDH1A1 P00352 2/20 0.39
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
MLYCD O95822 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
THRB P10828 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3574502 0.86 HDAC1 (0.52) HDAC1HDAC6TDP1KDM4EGLA
SCHEMBL13166745 0.79 HDAC1 (0.45) HDAC1HDAC6TDP1KDM4EGLA
SCHEMBL22804425 0.78 TAAR1 (0.46) HDAC1HDAC6TDP1KDM4EGLA
SCHEMBL13744444 0.75 TRPM8 (0.38) HDAC1HDAC6KDM4EL3MBTL1POLB
SCHEMBL408156 0.73 HDAC1 (0.47) HDAC1HDAC6TDP1KDM4EGLA
SCHEMBL14174775 0.73 TRPM8 (0.49) KDM4EPOLBTRPM8ALDH1A1THRB
SCHEMBL3667017 0.73 ALDH1A1 (0.59) HDAC1HDAC6L3MBTL1TRPM8ALDH1A1
SCHEMBL1239426 0.73 KDM4E (0.59) TDP1KDM4EGLAL3MBTL1ALDH1A1
SCHEMBL10824297 0.72 ALDH1A1 (0.62) TDP1KDM4EL3MBTL1HPGDALDH1A1
SCHEMBL969107 0.72 MLYCD (0.51) HDAC1HDAC6HPGDALDH1A1MLYCD

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-20100029754-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SW) 2010-02-04 US disclosed
US-7572826-B2 Thiophene-carboxamide derivatives and their use as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2009-08-11 US disclosed
US-20060058522-A1 Thiophene-carboxamide derivatives and their use as inhibitors of the enzyme ikk-2 ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1583755-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZIME IKK-2 AstraZeneca AB (SE) 2005-10-12 EP disclosed
WO-2004063186-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZIME IKK-2 ASTRAZENECA AB (SE) 2004-07-29 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 (2 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-20060058522-A1 Thiophene-carboxamide derivatives and their use as inhibitors of the enzyme ikk-2 NFKBIA, RELA, IKBKE HDAC1 359/4885HDAC6 1206/4885TDP1 416/4885
US-20100029754-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 NFKBIA, RELA, IKBKE HDAC1 359/4885HDAC6 1206/4885TDP1 416/4885

“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.