SCHEMBL3043849

SCHEMBL3043849

CC(C)(NC(=O)c1cccc(F)c1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
HTT P42858 1/20 0.56
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
KCNK3 O14649 2/20 0.54
PPARG P37231 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
IMPDH2 P12268 1/20 0.51
GAA P10253 1/20 0.49
KAT6A Q92794 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL3039120 0.84 POLB (0.58) HDAC1HDAC6SMN1; SMN2IMPDH2KCNK9
SCHEMBL3835902 0.83 PPARG (0.52) NPC1RAB9AHDAC1HDAC6MEN1
SCHEMBL8976765 0.82 NPC1 (0.72) NPC1RAB9AHTTHDAC1HDAC6
SCHEMBL17585366 0.82 POLB (0.53) KCNK3SMN1; SMN2IMPDH2GAAL3MBTL1
SCHEMBL3046746 0.82 VNN1 (0.57) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL28532186 0.82 HDAC1 (0.54) NPC1RAB9AHTTHDAC1HDAC6
SCHEMBL28443247 0.81 NPC1 (0.58) NPC1RAB9AHTTHDAC1HDAC6
SCHEMBL3043303 0.79 HDAC8 (0.61) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3042081 0.79 RAB9A (0.64) NPC1RAB9AMEN1KMT2AKCNK3
SCHEMBL3046619 0.78 IMPDH2 (0.51) NPC1RAB9AHTTHDAC6PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP 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 (1 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 NPC1 1107/4885RAB9A 2603/4885HTT 1717/4885

“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.