SCHEMBL2406477

SCHEMBL2406477

Cc1ccc(NC(=O)NC(C)c2ccc(C(=O)NO)cc2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
RECQL P46063 1/20 0.53
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.47
IDH1 O75874 1/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
NAMPT P43490 2/20 0.46
ALDH1A1 P00352 1/20 0.45
MTOR P42345 1/20 0.45
FKBP5 Q13451 1/20 0.45
POLB P06746 1/20 0.43
GBA1 P04062 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC3 O15379 3/20 0.43

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
SCHEMBL2406455 1.00 TSHR (0.53) TSHRRECQLNPC1RAB9AKMT2A
SCHEMBL2408408 0.89 HDAC1 (0.55) TSHRNPC1RAB9AKMT2AHSD17B10
SCHEMBL2407571 0.89 IDH1 (0.51) TSHRNPC1RAB9AKMT2AHSD17B10
SCHEMBL12280021 0.88 HDAC1 (0.53) TSHRRECQLNPC1RAB9AKMT2A
SCHEMBL2405443 0.84 HSD17B10 (0.49) TSHRNPC1RAB9AKMT2AHSD17B10
SCHEMBL2406106 0.84 MTOR (0.50) TSHRNPC1RAB9AKMT2AHSD17B10
SCHEMBL2408198 0.84 MTOR (0.53) TSHRNPC1RAB9AKMT2AHSD17B10
SCHEMBL2412300 0.83 HSD17B10 (0.54) TSHRNPC1RAB9AKMT2AHSD17B10
SCHEMBL2408891 0.82 KMT2A (0.56) NPC1RAB9AKMT2AHSD17B10HDAC1
SCHEMBL2407429 0.81 ALDH1A1 (0.70) TSHRNPC1RAB9AKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 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 (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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 TSHR 2722/4885RECQL 993/4885NPC1 3704/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 TSHR 2722/4885RECQL 993/4885NPC1 3704/4885

“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.