SCHEMBL2407320

SCHEMBL2407320

Cc1c(C(=O)N[C@H](C)c2cccc(C(=O)NO)c2)sc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
TP53 P04637 1/20 0.45
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
F10 P00742 2/20 0.41
GPR139 Q6DWJ6 3/20 0.40
PRNP P04156 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
IMPDH2 P12268 2/20 0.39
CA2 P00918 1/20 0.39
GRK5 P34947 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
ROCK1 Q13464 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
SCHEMBL2407524 0.87 HDAC1 (0.49) ALDH1A1HDAC1HDAC3HDAC4TP53
SCHEMBL2410921 0.79 HDAC1 (0.60) ALDH1A1HDAC1HDAC3HDAC4TP53
SCHEMBL2410635 0.79 HDAC1 (0.58) ALDH1A1HDAC1HDAC3HDAC4TP53
SCHEMBL2407023 0.78 HDAC1 (0.49) HDAC1HDAC3HDAC4TP53HDAC8
SCHEMBL2408978 0.77 HDAC1 (0.60) ALDH1A1HDAC1HDAC3HDAC4HDAC8
SCHEMBL2406760 0.77 HDAC1 (0.60) ALDH1A1HDAC1HDAC3HDAC4HDAC8
SCHEMBL2408298 0.77 HDAC1 (0.60) ALDH1A1HDAC1HDAC3HDAC4HDAC8
SCHEMBL2408356 0.76 NPC1 (0.48) ALDH1A1HDAC1TP53SMN1; SMN2LMNA
SCHEMBL12279819 0.74 ALDH1A1 (0.57) ALDH1A1HDAC1TP53HDAC8HDAC6
SCHEMBL2407820 0.74 RXFP1 (0.46) ALDH1A1HDAC1TP53HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 ALDH1A1 1696/4885HDAC1 3/4885HDAC3 5/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 ALDH1A1 1696/4885HDAC1 3/4885HDAC3 5/4885

“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.