SCHEMBL2409346

SCHEMBL2409346

Cc1c(C(=O)N[C@@H](c2ccc(C(=O)NO)cc2)C(F)(F)F)oc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.45
RAB9A P51151 10/20 0.45
HTT P42858 2/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
TP53 P04637 3/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.42
CASP3 P42574 1/20 0.42
KMT2A Q03164 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL2407841 0.84 NPC1 (0.48) NPC1RAB9AHTTHDAC1HDAC2
SCHEMBL2409589 0.84 NPC1 (0.48) NPC1RAB9AHTTHDAC1HDAC2
SCHEMBL2408697 0.82 HDAC1 (0.60) NPC1RAB9AHTTHDAC1HDAC2
SCHEMBL2405227 0.80 FPR1 (0.46) NPC1RAB9AHTTHDAC1HDAC2
SCHEMBL14880019 0.77 SMN1; SMN2 (0.62) NPC1RAB9AHTTHDAC1HDAC2
SCHEMBL2407496 0.76 ALDH1A1 (0.52) NPC1RAB9AHDAC1HDAC2SMN1; SMN2
SCHEMBL2408356 0.75 NPC1 (0.48) NPC1RAB9AHTTHDAC1HDAC2
SCHEMBL2442820 0.74 HPGDS (0.54) HDAC1HDAC2SMN1; SMN2LMNA
SCHEMBL2408678 0.74 HPGDS (0.54) HDAC1HDAC2SMN1; SMN2LMNA
SCHEMBL12279941 0.73 HDAC1 (0.50) NPC1RAB9AHTTHDAC1HDAC2

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 8 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-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
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO 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

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 NPC1 3704/4885RAB9A 2010/4885HTT 97/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 NPC1 3704/4885RAB9A 2010/4885HTT 97/4885

“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.