SCHEMBL17996893

SCHEMBL17996893

CN(C)c1ccc(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)c(-c4ccc(N(C)C)cc4)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.64
▸ TERT O14746 4/20 0.49
▸ CYCS P99999 3/20 0.47
▸ ENPP2 Q13822 1/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ TCF4 P15884 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41

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
SCHEMBL30128562 0.89 TOP1 (0.76) TOP1TERTCYCSENPP2ABCG2
SCHEMBL4447465 0.89 TOP1 (0.76) TOP1TERTCYCSENPP2ABCG2
SCHEMBL11329064 0.88 TOP1 (0.74) TOP1TERTCYCSENPP2ABCG2
SCHEMBL13554588 0.85 TERT (0.51) TOP1TERTCYCSENPP2ABCG2
SCHEMBL13309422 0.85 TERT (0.51) TOP1TERTCYCSENPP2ABCG2
SCHEMBL17996768 0.84 TOP1 (0.50) TOP1TERTCYCSENPP2
SCHEMBL29582816 0.83 TERT (0.47) TOP1TERTCYCSENPP2
SCHEMBL29648942 0.83 TERT (0.47) TOP1TERTCYCSENPP2
SCHEMBL29353372 0.83 TERT (0.47) TOP1TERTCYCSENPP2
SCHEMBL174717 0.83 TERT (0.47) TOP1TERTCYCSENPP2

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
EP-3253905-B1 SELECTIVE PORPHYRIN-CATALYZED ELECTROCHEMICAL REDUCTION OF CO2 INTO CO IN WATER CENTRE NAT RECH SCIENT (FR) 2020-10-07 — — EP disclosed
US-20180023204-A1 SELECTIVE PORPHYRIN-CATALYZED ELECTROCHEMICAL REDUCTION OF CO2 INTO CO IN WATER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS ) (FR) 2018-01-25 — — US disclosed
WO-2016124611-A1 SELECTIVE PORPHYRIN-CATALYZED ELECTROCHEMICAL REDUCTION OF CO2 INTO CO IN WATER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-08-11 — — 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-20180023204-A1 SELECTIVE PORPHYRIN-CATALYZED ELECTROCHEMICAL REDUCTION OF CO2 INTO CO IN WATER CYC1, YAP1, PYCR1 TOP1 3192/4885TERT 387/4885CYCS 12/4885

“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.

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