SCHEMBL21363768

SCHEMBL21363768

Cc1ccc(-c2cccc(Cl)c2)cc1C

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.69
ALOX5 P09917 1/20 0.53
TAAR1 Q96RJ0 2/20 0.52
MAOB P27338 2/20 0.47
PGR P06401 6/20 0.46
HTR7 P34969 1/20 0.45
PKM P14618 1/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
BACE1 P56817 1/20 0.43

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
SCHEMBL5396176 0.84 HTR7 (0.52) ESR2HTR7BACE1
SCHEMBL12999936 0.82 ESR2 (0.58) ESR2ALOX5TAAR1MAOBPGR
SCHEMBL8593167 0.82 ESR2 (0.62) ESR2ALOX5TAAR1MAOBPGR
SCHEMBL16394285 0.81 TAAR1 (0.71) ESR2ALOX5TAAR1MAOBPGR
SCHEMBL31491189 0.81 TAAR1 (0.71) ESR2ALOX5TAAR1MAOBPGR
SCHEMBL31222672 0.81 ALOX5 (0.65) ESR2ALOX5TAAR1MAOBPGR
SCHEMBL817554 0.81 ALOX5 (0.65) ESR2ALOX5TAAR1MAOBPGR
SCHEMBL3793227 0.80 ESR2 (0.60) ESR2ALOX5TAAR1MAOBPGR
SCHEMBL5047034 0.79 ALOX5 (0.48) ESR2ALOX5BACE1
SCHEMBL14381971 0.79 ESR2 (0.54) ESR2ALOX5TAAR1MAOBPGR

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-10815226-B2 Heteroaryl compounds as inhibitors of necrosis, composition and application thereof ACCRO BIOSCIENCE INC. (KY) 2020-10-27 US disclosed
US-20190284180-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND APPLICATION THEREOF ACCRO BIOSCIENCE (HK) LIMITED (HK) 2019-09-19 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-10815226-B2 Heteroaryl compounds as inhibitors of necrosis, composition and application thereof LITAF, BAX, TNF ESR2 2525/4885ALOX5 84/4885TAAR1 4136/4885
US-20190284180-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND APPLICATION THEREOF LITAF, BAX, TNF ESR2 2525/4885ALOX5 84/4885TAAR1 4136/4885

“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.