SCHEMBL2117871

SCHEMBL2117871

COC(=O)c1ccc2ccn(CCN(C(=O)C3CC3)c3cccc(-n4cccn4)c3)c(=O)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
GAA P10253 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
TYK2 P29597 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL2116122 0.90 KLKB1 (0.35) NR1H4KMT2ALMNAMEN1DGAT2
SCHEMBL2120253 0.78 MAPT (0.41) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL2116523 0.68 PKM (0.48) ALDH1A1KMT2AKDM4EHPGDLMNA
SCHEMBL6167291 0.68 TP53 (0.62) MAPTALDH1A1KMT2AHPGDLMNA
SCHEMBL2116343 0.68 KDM4E (0.46) ALDH1A1KMT2AKDM4EHPGDLMNA
SCHEMBL1285806 0.67 MAPT (0.57) MAPTKMT2AKDM4EHPGDLMNA
SCHEMBL2619342 0.67 KAT6A (0.38) LMNA
SCHEMBL2118151 0.66 LMNA (0.47) LMNANPC1RAB9A
SCHEMBL2118015 0.66 TNF (0.47) ALDH1A1KMT2AKDM4EHPGDLMNA
SCHEMBL2611532 0.66 TNF (0.45) ALDH1A1KMT2AKDM4EHPGDLMNA

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 13 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
EP-2630128-A1 VIRAL POLYMERASE INHIBITORS Biota Scientific Management Pty Ltd (AU) 2013-08-28 EP disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed
WO-2012051659-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 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 NR1H4 566/4885MAPT 2988/4885ALDH1A1 298/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 NR1H4 566/4885MAPT 2988/4885ALDH1A1 298/4885

“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.