SCHEMBL25856186

SCHEMBL25856186

CNc1ccc(-c2ccc(N)c(C)c2)cc1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.68
ALDH1A1 P00352 7/20 0.68
TDP1 Q9NUW8 6/20 0.68
TSHR P16473 5/20 0.68
MET P08581 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 2/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
HIF1A Q16665 1/20 0.38
PRKCI P41743 1/20 0.38
KIF11 P52732 1/20 0.37
HSD17B10 Q99714 3/20 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
SCHEMBL3967350 0.87 ALDH1A1 (0.44) CYP3A4ALDH1A1TDP1TSHRMEN1
SCHEMBL21100108 0.86 TDP1 (0.65) CYP3A4ALDH1A1TDP1TSHRMET
SCHEMBL9315412 0.84 ALDH1A1 (0.56) CYP3A4ALDH1A1TDP1TSHRMET
SCHEMBL17705656 0.84 ALDH1A1 (0.68) CYP3A4ALDH1A1TDP1TSHRMET
Orthotolidine SCHEMBL29386552 0.82 CYP3A4 (1.00) CYP3A4ALDH1A1TDP1TSHRMEN1
Orthotolidine SCHEMBL49414 0.82 CYP3A4 (1.00) CYP3A4ALDH1A1TDP1TSHRMEN1
Orthotolidine SCHEMBL29365329 0.82 CYP3A4 (1.00) CYP3A4ALDH1A1TDP1TSHRMEN1
Orthotolidine SCHEMBL2812115 0.80 CYP3A4 (0.94) CYP3A4ALDH1A1TDP1TSHRMEN1
Orthotolidine SCHEMBL22129692 0.80 CYP3A4 (0.94) CYP3A4ALDH1A1TDP1TSHRMEN1
Orthotolidine SCHEMBL11189493 0.80 CYP3A4 (0.94) CYP3A4ALDH1A1TDP1TSHRMEN1

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-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2024-07-18 US disclosed
WO-2024102956-A1 KETO-AMIDE-BASED FIBROBLAST ACTIVATION PROTEIN-TARGETED LIGAND LINKED TO AN IMAGING OR THERAPEUTIC AGENT, COMPOSITIONS AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2024-05-16 WO disclosed
WO-2023133943-A1 CROSS-LINKED POLYAMIC ACID ESTER AND PREPARATION METHOD THEREFOR, POLYIMIDE COMPOSITION COMPRISING SAME, AND METHOD FOR PREPARING POLYIMIDE RESIN FILM 深圳职业技术学院 2023-07-20 WO 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-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF FAP, FIBP, FGFR1 CYP3A4 4676/4885ALDH1A1 2246/4885TDP1 2781/4885

“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.