SCHEMBL2116294

SCHEMBL2116294

COC(=O)c1ccc2ccn(Cc3cccc(CBr)c3)c(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
APOBEC3A P31941 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
MAPK10 P53779 3/20 0.43
NQO2 P16083 1/20 0.42
MAPK8 P45983 1/20 0.40
MAPT P10636 1/20 0.40
ABHD6 Q9BV23 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
LMNA P02545 2/20 0.39
YTHDC1 Q96MU7 1/20 0.39
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
PLG P00747 1/20 0.39

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
SCHEMBL2116372 0.90 IDO1 (0.46) IDO1ALDH1A1POLBKDM4EHPGD
SCHEMBL2117651 0.88 MMP13 (0.48) IDO1ALDH1A1POLBKDM4EHPGD
SCHEMBL2611535 0.87 PLAU (0.52) IDO1ALDH1A1POLBKDM4EHPGD
Hydrochloric Acid SCHEMBL2118697 0.86 PLAU (0.51) IDO1ALDH1A1POLBKDM4EHPGD
SCHEMBL6179524 0.85 MAPK8 (0.56) IDO1MAPK10MAPK8MAPTABHD6
SCHEMBL2117468 0.82 LMNA (0.44) IDO1ALDH1A1POLBKDM4EHPGD
SCHEMBL6697238 0.81 PDPK1 (0.43) ALDH1A1POLBKDM4EHPGDAPOBEC3A
SCHEMBL2116343 0.80 KDM4E (0.46) ALDH1A1POLBKDM4EHPGDAPOBEC3A
SCHEMBL2116510 0.80 LMNA (0.43) IDO1ALDH1A1POLBKDM4EHPGD
SCHEMBL6178153 0.79 MAPK8 (0.53) ALDH1A1SMN1; SMN2MAPK10MAPK8LMNA

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 IDO1 407/4885ALDH1A1 298/4885POLB 578/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 IDO1 407/4885ALDH1A1 298/4885POLB 578/4885

“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.