SCHEMBL2117651

SCHEMBL2117651

COC(=O)c1ccc2ccn(Cc3ccccc3)c(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.48
P2RX7 Q99572 1/20 0.48
MAPK8 P45983 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK10 P53779 1/20 0.47
CFTR P13569 1/20 0.46
CNR2 P34972 1/20 0.46
LMNA P02545 3/20 0.45
PSMB1 P20618 1/20 0.45
PSMB2 P49721 1/20 0.45
IDO1 P14902 1/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
APOBEC3A P31941 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
BRD4 O60885 1/20 0.44
BRD2 P25440 1/20 0.44

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
SCHEMBL2611535 0.88 PLAU (0.52) ALDH1A1MAPK10CFTRLMNAIDO1
SCHEMBL2116294 0.88 IDO1 (0.44) MMP13MAPK8ALDH1A1MAPK10LMNA
Hydrochloric Acid SCHEMBL2118697 0.87 PLAU (0.51) MMP13ALDH1A1MAPK10CFTRLMNA
SCHEMBL6703541 0.85 CYP11B1 (0.49) MMP13ALDH1A1MAPK10LMNAKDM4E
SCHEMBL6168393 0.85 LMNA (0.46) MMP13ALDH1A1MAPK10LMNAKDM4E
SCHEMBL6701010 0.85 CA1 (0.46) MAPK8ALDH1A1MAPK10LMNAKDM4E
SCHEMBL5697177 0.84 MMP13 (0.71) MMP13P2RX7MAPK8ALDH1A1MAPK10
SCHEMBL2116590 0.84 HDAC6 (0.56) BRD4BRD2BRD3BRDTEGLN1
SCHEMBL2116372 0.84 IDO1 (0.46) MMP13ALDH1A1MAPK10LMNAIDO1
SCHEMBL6697238 0.84 PDPK1 (0.43) P2RX7ALDH1A1MAPK10LMNAKDM4E

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-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 MMP13 224/4885P2RX7 3023/4885MAPK8 4084/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 MMP13 224/4885P2RX7 3023/4885MAPK8 4084/4885

“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.