SCHEMBL20004351

SCHEMBL20004351

CC(C)c1ccc(COCc2cccc(F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.50
AGXT P21549 2/20 0.50
MAOB P27338 11/20 0.46
MRGPRX4 Q96LA9 1/20 0.43
MAOA P21397 1/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL22537516 0.84 IDO1 (0.50) IDO1AGXTMAOBMAOASCN9A
SCHEMBL24726471 0.83 MAOB (0.69) MAOBMRGPRX4MAOASCN9A
SCHEMBL28344411 0.82 IDO1 (0.69) IDO1AGXTMAOBMAOA
SCHEMBL22537583 0.82 IDO1 (0.51) IDO1MAOBMRGPRX4MAOA
SCHEMBL22537625 0.81 IDO1 (0.55) IDO1AGXTMAOB
SCHEMBL9842310 0.81 TSHR (0.62) IDO1
SCHEMBL13756779 0.81 TSHR (0.62) IDO1
SCHEMBL20004986 0.81 IDO1 (0.50) IDO1MRGPRX4
SCHEMBL2293769 0.80 IDO1 (0.68) IDO1
SCHEMBL992379 0.80 MAOB (0.70) IDO1AGXTMAOB

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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 US disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 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 (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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases PSEN2, CLN6, MAPT IDO1 1664/4885AGXT 1854/4885MAOB 63/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT IDO1 2265/4885AGXT 1695/4885MAOB 64/4885

“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.