SCHEMBL2406702

SCHEMBL2406702

Cc1c(C(=O)N[C@H](C)c2ccc(C(=O)NO)s2)oc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.48
RAB9A P51151 10/20 0.48
POLB P06746 1/20 0.48
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
HDAC2 Q92769 1/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL2409589 0.79 NPC1 (0.48) NPC1RAB9AALDH1A1RXFP1HDAC1
SCHEMBL2407841 0.79 NPC1 (0.48) NPC1RAB9AALDH1A1RXFP1HDAC1
SCHEMBL14880019 0.78 SMN1; SMN2 (0.62) NPC1RAB9APOLBRXFP1HDAC1
SCHEMBL12319070 0.77 NPC1 (0.61) NPC1RAB9APOLBHSD17B10RXFP1
SCHEMBL2407023 0.77 HDAC1 (0.49) NPC1RAB9ARXFP1HDAC1HDAC3
SCHEMBL2408356 0.76 NPC1 (0.48) NPC1RAB9AALDH1A1HDAC1SMN1; SMN2
SCHEMBL2408578 0.76 ALDH1A1 (0.66) NPC1RAB9APOLBHSD17B10KDM4E
SCHEMBL2408697 0.73 HDAC1 (0.60) NPC1RAB9ARXFP1HDAC1SMN1; SMN2
SCHEMBL12319614 0.71 NPC1 (0.46) NPC1RAB9APOLBHSD17B10KDM4E
SCHEMBL2407982 0.71 HDAC1 (0.57) NPC1RAB9AALDH1A1NPSR1RXFP1

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 11 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
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 NPC1 3327/4885RAB9A 2603/4885POLB 467/4885
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 NPC1 3327/4885RAB9A 2603/4885POLB 467/4885

“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.