SCHEMBL19805922

SCHEMBL19805922

C=CNCc1ccc(OC)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
DBH P09172 1/20 0.46
ALDH1A1 P00352 3/20 0.45
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
TUBB1 Q9H4B7 2/20 0.44
ROCK2 O75116 1/20 0.44
CYP17A1 P05093 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
SCHEMBL19805900 0.86 ALDH1A1 (0.61) ALDH1A1PPARGPPARDPPARALMNA
SCHEMBL3306706 0.83 KDM1A (0.49) KDM1AMAOAMAOBDBHALDH1A1
SCHEMBL23046575 0.81 KDM1A (0.52) KDM1AMAOAMAOBDBHALDH1A1
SCHEMBL296365 0.81 HTR7 (0.58) KDM1AMAOAMAOBDBHCYP17A1
SCHEMBL19806072 0.81 ALDH1A1 (0.43) ALDH1A1LMNAMAPK1HTTTUBB1
SCHEMBL12890690 0.79 DBH (0.51) KDM1AMAOAMAOBDBHALDH1A1
SCHEMBL8481621 0.79 ALDH1A1 (0.71) ALDH1A1PPARGPPARDPPARALMNA
SCHEMBL21534766 0.78 HTR1A (0.51) KDM1AMAOAMAOBDBHPPARD
SCHEMBL9135638 0.77 CYP17A1 (0.49) KDM1AMAOAMAOBDBHALDH1A1
SCHEMBL16355197 0.77 KDM1A (0.49) KDM1AMAOAMAOBDBHALDH1A1

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-20210309647-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-10-07 US disclosed
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 EP disclosed
WO-2018014802-A1 APOPTOSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-01-25 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-20210309647-A1 Apoptosis Inhibitors BAX, SDHA, SDHB KDM1A 1294/4885MAOA 2052/4885MAOB 585/4885

“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.