SCHEMBL18509715

SCHEMBL18509715

COc1cccc(C)c1N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA12 O43570 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA4 P22748 1/20 0.44
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL9634997 0.86 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL1107763 0.78 CYP2A6 (0.45) CA1CA2CA7CA9MAPT
SCHEMBL18716623 0.77 ALDH1A1 (0.56) CA1CA2CA7CA9CA12
SCHEMBL7889125 0.76 CA1 (0.43) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL2857487 0.76 CYP2A6 (0.43) CA1CA2CA7CA9MAPT
SCHEMBL19753581 0.75 CA12 (0.38) CA1CA2CA7CA9CA12
SCHEMBL7347321 0.75 CA12 (0.44) CA1CA2CA7CA9CA12
SCHEMBL5639919 0.75 MAPT (0.46) CA1CA2CA7CA9LMNA
SCHEMBL10931331 0.74 ACHE (0.37) CA1CA2CA7CA9CA12
SCHEMBL8516410 0.74 S1PR4 (0.41) CA1CA2CA7CA9CA12

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-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-02-02 US disclosed
US-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-19 US disclosed
WO-2019031990-A1 NOVEL HETEROCYCLIC COMPOUNDS AS CDK8/19 INHIBITORS ЗАКРЫТОЕ АКЦИОНЕРНОЕ ОБЩЕСТВО "БИОКАД" 2019-02-14 WO disclosed
WO-2016134145-A9 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-16 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-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R CA1 4597/4885CA2 2078/4885CA7 4198/4885
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R CA1 4597/4885CA2 2078/4885CA7 4198/4885

“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.