SCHEMBL977669

SCHEMBL977669

CC(=O)Nc1ccccc1C(=O)CNCCc1ccc(Cl)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2C19 P33261 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.37
GRIK1 P39086 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36

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
SCHEMBL5628156 0.89 LMNA (0.57) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL980298 0.79 LMNA (0.46) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL977667 0.78 PYCR1 (0.44) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5102181 0.71 KDM4E (0.49) LMNANPC1RAB9AKDM4EHSD17B10
SCHEMBL8752477 0.70 CYP2C19 (0.59) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4031996 0.69 HTT (0.49) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6773829 0.68 CNR1 (0.55) LMNASMN1; SMN2POLBALDH1A1TP53
SCHEMBL1197038 0.68 KDM4E (0.62) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL5629271 0.67 LMNA (0.55) LMNAHPGDMEN1KMT2ATDP1
SCHEMBL10580247 0.67 CYP2C19 (0.49) LMNANPC1RAB9ASMN1; SMN2KDM4E

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-7868003-B2 Substituted 4-phenyltetrahydroisoquinolines, pharmaceutical compositions comprising them and therapeutic methods for their use SANOFI-AVENTIS (FR) 2011-01-11 US disclosed
US-20080058328-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, PHARMACEUITCAL COMPOSITIONS COMPRISING THEM AND THERAPEUTIC METHODS FOR THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-06 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 (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-20080058328-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, PHARMACEUITCAL COMPOSITIONS COMPRISING THEM AND THERAPEUTIC METHODS FOR THEIR USE REN, MTNR1B, MTNR1A LMNA 1462/4885NPC1 238/4885RAB9A 1308/4885

“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.