Sugi Predict

Sugi Predict / Compounds / SCHEMBL2115907

SCHEMBL2115907

SCHEMBL2115907

O=C(NO)c1ccc2c(=O)[nH]c(COc3ccccc3C(F)(F)F)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ RAB9A P51151 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ RXRG P48443 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ RECQL P46063 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ HDAC8 Q9BY41 2/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ MGLL Q99685 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39

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
SCHEMBL2117546 0.89 KDM4E (0.54) RAB9ANPC1RXRARXRBRXRG
SCHEMBL2611379 0.85 ROCK2 (0.53) HDAC6RAB9ANPC1KDM4ERECQL
SCHEMBL2116314 0.85 RAB9A (0.49) HDAC6RAB9ANPC1KDM4ERECQL
SCHEMBL2619397 0.85 RAB9A (0.56) HDAC6RAB9ANPC1KDM4ERECQL
SCHEMBL2611378 0.82 RAB9A (0.44) HDAC6RAB9ANPC1KDM4ERECQL
SCHEMBL2619281 0.82 HSD17B10 (0.44) HDAC6RAB9ANPC1KDM4ERECQL
SCHEMBL2619265 0.82 KMT2A (0.47) HDAC6HDAC3RAB9AKDM4ERECQL
SCHEMBL4550064 0.77 KDM4E (0.46) HDAC6HDAC3HDAC7RAB9ANPC1
SCHEMBL2619420 0.77 KDM4E (0.49) HDAC6RAB9ANPC1KDM4ERECQL
SCHEMBL2611393 0.77 RAB9A (0.49) HDAC6RAB9ANPC1KDM4ERECQL

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 8 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
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 HDAC6 1/4885HDAC3 5/4885HDAC7 7/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC3 5/4885HDAC7 7/4885

“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.