SCHEMBL6501798

SCHEMBL6501798

COc1cccc(C(=O)Nc2ccc(NCCc3ccccn3)cc2)c1-c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TP53 P04637 2/20 0.45
MAPK1 P28482 1/20 0.45
CTNNB1 P35222 1/20 0.45
TCF7L2 Q9NQB0 1/20 0.45
GAA P10253 2/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
AHR P35869 1/20 0.43
CASP3 P42574 1/20 0.43

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
SCHEMBL6488763 0.90 MTTP (0.51) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL6488749 0.89 MTTP (0.52) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL6488096 0.85 NPC1 (0.49) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL6787263 0.83 HTT (0.49) NPC1RAB9AMAPTSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL6791064 0.82 NPC1 (0.49) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL6491534 0.81 NPC1 (0.56) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL6489521 0.80 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6489227 0.80 CTNNB1 (0.48) NPC1RAB9ASMN1; SMN2KMT2ACTNNB1
SCHEMBL6491901 0.80 MTTP (0.64)
SCHEMBL6502209 0.79 CTNNB1 (0.50) NPC1RAB9AMAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288317-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 US claimed
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 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-20050288317-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 NPC1 325/4885RAB9A 1641/4885MAPT 3609/4885
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 NPC1 100/4885RAB9A 4382/4885MAPT 4202/4885

“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.