SCHEMBL2118546

SCHEMBL2118546

COC(=O)c1ccc2ccn(CCNc3ccc(OC)cc3)c(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MTNR1A P48039 6/20 0.44
MTNR1B P49286 6/20 0.44
HDAC3 O15379 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41

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
SCHEMBL2117423 0.94 HDAC3 (0.45) TRPV1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2120215 0.90 HDAC6 (0.54) TRPV1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2120728 0.85 MAPK1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2116182 0.84 MCL1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2118911 0.84 HDAC6 (0.53) TRPV1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2116523 0.81 PKM (0.48) ALDH1A1KMT2ASMN1; SMN2NPC1HDAC3
SCHEMBL2116343 0.79 KDM4E (0.46) ALDH1A1KMT2ASMN1; SMN2HDAC3HDAC1
SCHEMBL2120253 0.78 MAPT (0.41) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2118015 0.78 TNF (0.47) ALDH1A1KMT2ASMN1; SMN2HDAC3HDAC1
SCHEMBL2611532 0.78 TNF (0.45) ALDH1A1KMT2ASMN1; SMN2HDAC3HDAC1

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 7 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-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

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 TRPV1 3448/4885ALDH1A1 298/4885MEN1 3398/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 TRPV1 3448/4885ALDH1A1 298/4885MEN1 3398/4885

“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.