SCHEMBL21885818

SCHEMBL21885818

IPOC1(CSc2nc3ccccc3s2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.52
CYP2D6 P10635 4/20 0.52
CYP2C19 P33261 4/20 0.52
CYP3A4 P08684 3/20 0.52
MAPK1 P28482 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HIF1A Q16665 1/20 0.52
POLB P06746 2/20 0.50
APEX1 P27695 1/20 0.50
RECQL P46063 1/20 0.50
ALDH1A1 P00352 7/20 0.48
HSD17B10 Q99714 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2C9 P11712 1/20 0.48
STAT6 P42226 1/20 0.48
HPGD P15428 4/20 0.45
ADRA2A P08913 1/20 0.45

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
SCHEMBL30824973 0.83 CYP1A2 (0.56) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL21826865 0.73 CYP1A2 (0.48) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL21826862 0.73 CYP1A2 (0.48) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL5837665 0.70 CYP1A2 (1.00) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL21675444 0.68 CYP1A2 (0.75) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL774785 0.68 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL7155586 0.68 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL4758779 0.68 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL9183570 0.68 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL29138950 0.68 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1

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-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY SHOUTI INC. 2023-06-01 US disclosed
US-20220125787-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. 2022-04-28 US disclosed
WO-2020073011-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. (US) 2020-04-09 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-20220125787-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 CYP1A2 2827/4885CYP2D6 2016/4885CYP2C19 2626/4885
US-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 CYP1A2 2827/4885CYP2D6 2016/4885CYP2C19 2626/4885

“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.