SCHEMBL2407982

SCHEMBL2407982

C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C(=O)NO)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.57
HDAC3 O15379 3/20 0.57
HDAC4 P56524 3/20 0.57
ROCK2 O75116 1/20 0.50
RPS6KA5 O75582 1/20 0.50
MAP4K4 O95819 1/20 0.50
CDK1 P06493 1/20 0.50
CSF1R P07333 1/20 0.50
PRKACA P17612 1/20 0.50
FLT1 P17948 1/20 0.50
RPS6KB1 P23443 1/20 0.50
CDK2 P24941 1/20 0.50
MAPK1 P28482 1/20 0.50
AKT1 P31749 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
FLT3 P36888 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
RPS6KA3 P51812 1/20 0.50

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
SCHEMBL2408290 0.82 CA1 (0.56) HDAC1HDAC3HDAC4NPC1RAB9A
SCHEMBL12271721 0.80 MEN1 (0.55) HDAC1HDAC3HDAC4ROCK2RPS6KA5
SCHEMBL12271729 0.79 MEN1 (0.54) HDAC1HDAC3HDAC4ROCK2RPS6KA5
SCHEMBL2413088 0.79 ROCK2 (0.68) HDAC1HDAC3HDAC4ROCK2RPS6KA5
SCHEMBL12271829 0.79 ROCK2 (0.50) HDAC1HDAC3HDAC4ROCK2RPS6KA5
SCHEMBL2408795 0.78 HDAC1 (0.72) HDAC1HDAC3HDAC4ALDH1A1LMNA
SCHEMBL6384623 0.77 HDAC1 (0.50) HDAC1HDAC3HDAC4NPC1RAB9A
SCHEMBL12271271 0.77 HSD17B10 (0.56) HDAC1HDAC3HDAC4CDK2CLK4
SCHEMBL2412844 0.77 ROCK2 (0.57) HDAC1HDAC3HDAC4ROCK2RPS6KA5
SCHEMBL2407602 0.77 HDAC1 (0.48) HDAC1HDAC3HDAC4FLT1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227951-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
US-9227951-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
US-9227951-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-14 US disclosed
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-14 US disclosed
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-14 US disclosed
US-8546588-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-8546588-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011106627-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 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-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 HDAC1 2/4885HDAC3 3/4885HDAC4 7/4885
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 HDAC1 2/4885HDAC3 3/4885HDAC4 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.