SCHEMBL1174296

SCHEMBL1174296

COc1ccc(CN2CCc3cc(C(=O)NO)sc3C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.59
HDAC1 Q13547 8/20 0.59
TNF P01375 1/20 0.53
NOD2 Q9HC29 1/20 0.53
NOD1 Q9Y239 1/20 0.53
ABCB1 P08183 1/20 0.50
ABCC1 P33527 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
DRD2 P14416 1/20 0.47
KCNH2 Q12809 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXFP1 Q9HBX9 1/20 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
SCHEMBL1173817 0.83 HDAC6 (0.50) HDAC6HDAC1KDM4EMEN1KMT2A
SCHEMBL1175115 0.81 HDAC6 (0.54) HDAC6HDAC1KDM4EMEN1KMT2A
SCHEMBL12868683 0.80 PTPN1 (0.53) HDAC6HDAC1DRD2KCNH2KDM4E
SCHEMBL12895811 0.79 HDAC1 (0.76) HDAC6HDAC1TNFNOD2NOD1
SCHEMBL12869009 0.79 SMN1; SMN2 (0.60) HDAC6HDAC1NOD1KDM4EMEN1
SCHEMBL1175242 0.78 HDAC6 (0.47) HDAC6HDAC1TNFNOD2NOD1
SCHEMBL1175135 0.78 PRMT5 (0.45) HDAC6HDAC1DRD2KDM4EMEN1
SCHEMBL1173771 0.77 PTPN1 (0.52) HDAC6HDAC1DRD2KCNH2KDM4E
SCHEMBL1173836 0.77 ALDH1A1 (0.52) HDAC6HDAC1KDM4EMEN1KMT2A
SCHEMBL1174033 0.77 WDR91 (0.46) HDAC6HDAC1DRD2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 US claimed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885HDAC1 3/4885TNF 922/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885HDAC1 3/4885TNF 922/4885

“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.