SCHEMBL7797668

SCHEMBL7797668

O=C(NO)c1cc2c(s1)CN(C(=O)NCc1ccc(Cl)cc1)CC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
TDP1 Q9NUW8 1/20 0.60
HDAC6 Q9UBN7 7/20 0.55
MAPK1 P28482 1/20 0.48
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.45
WDR91 A4D1P6 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MCHR1 Q99705 1/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
LMNA P02545 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL7797683 0.92 KMT2A (0.60) KMT2ATDP1HDAC6MAPK1MEN1
SCHEMBL1173842 0.89 HDAC6 (0.57) KMT2ATDP1HDAC6MEN1KDM4E
SCHEMBL1175115 0.87 HDAC6 (0.54) KMT2ATDP1HDAC6MAPK1MEN1
SCHEMBL1174312 0.80 HDAC6 (0.52) HDAC6NPC1MAPTLMNAHDAC1
SCHEMBL7787425 0.79 HDAC6 (0.55) HDAC6MAPK1ALDH1A1WDR91MCHR1
SCHEMBL16220625 0.79 HDAC6 (0.55) HDAC6MAPK1ALDH1A1WDR91MCHR1
SCHEMBL1174282 0.78 HDAC6 (0.54) KMT2ATDP1HDAC6MAPK1MEN1
SCHEMBL1174284 0.77 HDAC6 (0.70) HDAC6WDR91MCHR1HDAC8PRMT5
SCHEMBL29978106 0.75 KMT2A (0.50) KMT2ATDP1HDAC6MAPK1MEN1
SCHEMBL16220562 0.74 HDAC6 (0.58) HDAC6PRMT5WDR77

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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 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 KMT2A 87/4885TDP1 2235/4885HDAC6 1/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 KMT2A 87/4885TDP1 2235/4885HDAC6 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.