SCHEMBL2116360

SCHEMBL2116360

O=C(NO)c1ccc2ccn(Cc3cccc(C(F)(F)F)c3)c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HDAC6 Q9UBN7 6/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
MAPT P10636 2/20 0.49
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PTGER4 P35408 1/20 0.48
PTGDR Q13258 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
DRD4 P21917 1/20 0.46
PTGER3 P43115 1/20 0.46
GAA P10253 1/20 0.46
HDAC11 Q96DB2 1/20 0.46

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
SCHEMBL2115784 0.88 HDAC6 (0.53) ALDH1A1SMN1; SMN2KDM4EHDAC6HDAC1
SCHEMBL2619301 0.86 HDAC6 (0.47) ATMALDH1A1SMN1; SMN2KDM4EHDAC6
SCHEMBL17545581 0.86 HDAC6 (0.46) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL2611281 0.86 EPHX2 (0.48) ALDH1A1KDM4EHDAC6HDAC1HDAC8
SCHEMBL2611380 0.86 HDAC6 (0.48) ATMALDH1A1SMN1; SMN2KDM4EHDAC6
SCHEMBL4550175 0.85 HDAC6 (0.46) HDAC6HDAC1HDAC8LMNAHDAC3
SCHEMBL2116590 0.84 HDAC6 (0.56) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL2611357 0.84 EGLN1 (0.50) ALDH1A1SMN1; SMN2KDM4EHDAC6HDAC1
SCHEMBL10285120 0.84 PLAU (0.53) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL2120228 0.84 MAPT (0.48) HDAC6HDAC1HDAC8MAPTLMNA

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 9 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
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 ATM 3764/4885ALDH1A1 298/4885SMN1; SMN2 848/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 ATM 3764/4885ALDH1A1 298/4885SMN1; SMN2 848/4885

“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.