SCHEMBL1175397

SCHEMBL1175397

O=C(NO)c1cc2c(s1)CN(Cc1ccc(C(F)(F)F)cc1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
HDAC6 Q9UBN7 7/20 0.45
HDAC11 Q96DB2 2/20 0.44
HDAC1 Q13547 4/20 0.43
HIF1A Q16665 3/20 0.43
EPAS1 Q99814 3/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
RORC P51449 1/20 0.42
HDAC8 Q9BY41 2/20 0.41
HDAC3 O15379 1/20 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
HDAC9 Q9UKV0 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
SCHEMBL1173817 0.90 HDAC6 (0.50) KDM4EMEN1KMT2ASMN1; SMN2RXFP1
SCHEMBL1175221 0.90 PRMT5 (0.52) KDM4EMEN1KMT2ASMN1; SMN2RXFP1
SCHEMBL7787385 0.81 HDAC1 (0.39) KDM4EMEN1KMT2ASMN1; SMN2RXFP1
SCHEMBL22247002 0.78 RORC (0.51) KDM4EMEN1KMT2ASMN1; SMN2RXFP1
SCHEMBL22068697 0.78 KDM4E (0.51) KDM4EMEN1KMT2ASMN1; SMN2RXFP1
SCHEMBL7794946 0.77 HDAC6 (0.56) HDAC6PRMT5WDR77
SCHEMBL12869009 0.74 SMN1; SMN2 (0.60) KDM4EMEN1KMT2ASMN1; SMN2RXFP1
SCHEMBL1263457 0.73 HDAC6 (0.62) KDM4EMEN1KMT2ASMN1; SMN2HDAC6
SCHEMBL1174049 0.73 HDAC6 (0.60) MEN1KMT2AHDAC6PRMT5WDR77
SCHEMBL1174296 0.72 HDAC6 (0.59) KDM4EMEN1KMT2ASMN1; SMN2RXFP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 KDM4E 903/4885MEN1 3742/4885KMT2A 87/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 KDM4E 903/4885MEN1 3742/4885KMT2A 87/4885

“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.