SCHEMBL2116515

SCHEMBL2116515

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 6/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 4/20 0.46
POLB P06746 1/20 0.46
APOBEC3A P31941 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
PSMB2 P49721 7/20 0.43
PSMB5 P28074 7/20 0.43
PSMB1 P20618 6/20 0.43
LMNA P02545 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LCK P06239 1/20 0.41
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL2116523 0.83 PKM (0.48) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL2116343 0.82 KDM4E (0.46) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL27945690 0.80 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL2117651 0.80 MMP13 (0.48) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL2611532 0.80 TNF (0.45) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL2118015 0.80 TNF (0.47) ALDH1A1KDM4EHPGDHSD17B10POLB
Hydrochloric Acid SCHEMBL2118693 0.79 TNF (0.44) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL2119898 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL21224434 0.78 LCK (0.47) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL2118310 0.77 SMN1; SMN2 (0.56) ALDH1A1KDM4EHPGDHSD17B10POLB

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 10 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
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 ALDH1A1 298/4885KDM4E 769/4885HPGD 2018/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 ALDH1A1 298/4885KDM4E 769/4885HPGD 2018/4885

“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.