SCHEMBL23536359

SCHEMBL23536359

Nc1ccccc1OCc1ccc(F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
AGXT P21549 2/20 0.56
MAPK14 Q16539 10/20 0.47
APP P05067 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAOB P27338 1/20 0.46
DHFR P00374 1/20 0.45
DCPS Q96C86 1/20 0.45
CCR5 P51681 1/20 0.44
PTGER1 P34995 2/20 0.44

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
SCHEMBL21685829 0.87 IDO1 (0.53) IDO1AGXTMAPK14MAOBDHFR
SCHEMBL23555089 0.86 LMNA (0.47) MAPK14APPALDH1A1
SCHEMBL1577187 0.84 MCL1 (0.57) IDO1APPALDH1A1MAOBDHFR
Hydrochloric Acid SCHEMBL7028806 0.84 CACNA1C (0.56) IDO1AGXTMAPK14ALDH1A1MAOB
SCHEMBL29118568 0.84 ALDH1A1 (0.48) APPALDH1A1PTGER1
SCHEMBL18783726 0.82 MAPK14 (0.56) IDO1AGXTMAPK14ALDH1A1MAOB
SCHEMBL4812827 0.81 APP (0.44) IDO1MAPK14APPALDH1A1DHFR
SCHEMBL12301131 0.80 MAPK14 (0.55) IDO1AGXTMAPK14MAOBPTGER1
Hydrochloric Acid SCHEMBL4809393 0.80 APP (0.43) IDO1AGXTMAPK14APPALDH1A1
SCHEMBL6080485 0.80 MAPK14 (0.54) IDO1AGXTMAPK14MAOBDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230104936-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-04-06 US disclosed
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 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-20230104936-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 IDO1 2941/4885AGXT 4742/4885MAPK14 2584/4885

“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.