SCHEMBL3756501

SCHEMBL3756501

Cc1cc(NC2CCCC2)c2[nH]c(-c3ncc(C(O)C(O)c4cnc(-c5cc6cc(C)cc(NC7CCCC7)c6[nH]5)s4)s3)cc2c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
TRIM33 Q9UPN9 2/20 0.31
TYK2 P29597 1/20 0.31
TRIM24 O15164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL3032674 0.84 SRC (0.38) NPC1RAB9ATYK2KDM4EALDH1A1
SCHEMBL3756502 0.81 NPC1 (0.31) NPC1RAB9A
SCHEMBL3798656 0.81 NPC1 (0.31) NPC1RAB9A
SCHEMBL3018418 0.76 SRC (0.37) NPC1RAB9AHDAC8TYK2ALDH1A1
SCHEMBL3020621 0.74 ALDH1A1 (0.39) HDAC8KDM4EALDH1A1
SCHEMBL2995601 0.74 NPY5R (0.43) TRIM24KDM4EALDH1A1L3MBTL1
SCHEMBL15005722 0.72 HDAC8 (0.32) HDAC8TYK2ALDH1A1
SCHEMBL3798658 0.72 GUSB (0.30)
SCHEMBL3007498 0.72 ALDH1A1 (0.46) NPC1RAB9AKDM4EALDH1A1L3MBTL1
SCHEMBL3005238 0.72 NPY5R (0.45) NPC1RAB9AKDM4E

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-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG CHEM, LTD. (KR) 2012-10-25 US disclosed
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD. (KR) 2010-11-18 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-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT NPC1 2924/4885RAB9A 3325/4885HDAC8 788/4885
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT NPC1 2924/4885RAB9A 3325/4885HDAC8 788/4885

“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.