SCHEMBL18470544

SCHEMBL18470544

Cc1ccc2c(c1)cc(-c1ccc(F)cc1)n2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 2/20 0.46
OGG1 O15527 1/20 0.43
CYP19A1 P11511 1/20 0.42
NR3C1 P04150 1/20 0.42
APP P05067 5/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 1/20 0.39
PTGES O14684 1/20 0.39
ACHE P22303 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL13444463 0.91 KMT2A (0.53) MAPTRXFP1LMNATP53KMT2A
SCHEMBL6489298 0.83 KMT2A (0.46) MAPTRXFP1LMNATP53KMT2A
SCHEMBL28974885 0.83 NR3C1 (0.42) MAPTRXFP1LMNATP53POLB
SCHEMBL11686956 0.83 KMT2A (0.46) MAPTRXFP1TP53KMT2ACYP19A1
SCHEMBL11662919 0.83 KMT2A (0.68) MAPTRXFP1LMNAKMT2ACYP19A1
SCHEMBL18470539 0.83 KMT2A (0.42) MAPTRXFP1TP53POLBKMT2A
SCHEMBL17199052 0.82 BRPF1 (0.47) MAPTKMT2AOGG1CYP19A1APP
SCHEMBL18470542 0.80 GRIK1 (0.49) MAPTLMNATP53POLBKMT2A
SCHEMBL28274299 0.79 KMT2A (0.73) MAPTKMT2ACYP19A1APPKDM4E
SCHEMBL11688437 0.78 KMT2A (0.66) MAPTKMT2ACYP19A1APPKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-02-09 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-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF PTGES, PTGS1, PTGIS MAPT 3600/4885RXFP1 2080/4885LMNA 3798/4885

“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.