SCHEMBL4550181

SCHEMBL4550181

O=C(NO)c1ccc2ccn(CCCOc3ccccc3C(F)(F)F)c(=O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.40
S1PR1 P21453 1/20 0.40
HDAC6 Q9UBN7 3/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 2/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
MAPT P10636 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TNF P01375 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
BAD Q92934 1/20 0.37
NPY4R P50391 1/20 0.37
NR1H2 P55055 1/20 0.36
PPARA Q07869 1/20 0.36
NR1H3 Q13133 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL2619285 0.95 S1PR1 (0.40) S1PR1HDAC6HDAC1HDAC3RXRA
SCHEMBL4550178 0.85 SMPD1 (0.47) HDAC6HDAC1HDAC3MAPTHDAC8
SCHEMBL2619238 0.85 TNF (0.43) MCL1HDAC6HDAC1HDAC3MAPT
SCHEMBL2118250 0.85 HDAC8 (0.45) MCL1HDAC6HDAC1HDAC3MAPT
SCHEMBL2619284 0.82 MAPT (0.43) HDAC6HDAC1MAPTHDAC8
SCHEMBL10263307 0.82 PIN1 (0.41) MCL1HDAC6HDAC1HDAC3HDAC8
SCHEMBL2619419 0.81 ALDH1A1 (0.43) HDAC6HDAC1HDAC3MAPTHDAC8
SCHEMBL10262477 0.81 HDAC8 (0.46) HDAC6HDAC1HDAC3MAPTHDAC8
SCHEMBL4550103 0.81 HDAC8 (0.46) HDAC6HDAC1HDAC3MAPTHDAC8
SCHEMBL2117041 0.80 HDAC6 (0.44) MCL1HDAC6HDAC1HDAC3HDAC8

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 4 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-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

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 MCL1 1132/4885S1PR1 1076/4885HDAC6 1/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 MCL1 1132/4885S1PR1 1076/4885HDAC6 1/4885

“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.