SCHEMBL2407023

SCHEMBL2407023

Cc1c(C(=O)N[C@H](C)c2ccc(C(=O)NO)s2)sc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.49
HDAC3 O15379 6/20 0.49
HDAC4 P56524 5/20 0.49
HDAC6 Q9UBN7 7/20 0.45
HDAC8 Q9BY41 3/20 0.45
RXFP1 Q9HBX9 2/20 0.42
PRNP P04156 1/20 0.42
F10 P00742 2/20 0.41
HSD11B1 P28845 1/20 0.39
LIMK1 P53667 1/20 0.39
CYP2C9 P11712 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36

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 0.81 HDAC1 (0.49) HDAC1HDAC3HDAC4HDAC6HDAC8
SCHEMBL2407320 0.78 ALDH1A1 (0.47) HDAC1HDAC3HDAC4HDAC6HDAC8
SCHEMBL2406702 0.77 NPC1 (0.48) HDAC1HDAC3HDAC4RXFP1SMN1; SMN2
SCHEMBL2412288 0.76 HDAC1 (0.65) HDAC1HDAC3HDAC4HDAC6HDAC8
SCHEMBL2406496 0.76 HDAC1 (0.65) HDAC1HDAC3HDAC4HDAC6HDAC8
SCHEMBL12319536 0.75 HDAC6 (0.52) HDAC1HDAC6HDAC8RXFP1PRNP
SCHEMBL2410921 0.74 HDAC1 (0.60) HDAC1HDAC3HDAC4HDAC6HDAC8
SCHEMBL2407982 0.73 HDAC1 (0.57) HDAC1HDAC3HDAC4HDAC6HDAC8
SCHEMBL2408795 0.72 HDAC1 (0.72) HDAC1HDAC3HDAC4HDAC6HDAC8
SCHEMBL2407130 0.72 HDAC6 (0.57) HDAC1HDAC3HDAC4HDAC6HDAC8

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
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
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.