SCHEMBL23620222

SCHEMBL23620222

COc1ccc(/C=C\N)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 8/20 0.50
▸ CYP1B1 Q16678 8/20 0.50
▸ CYP1A2 P05177 8/20 0.50
▸ NFE2L2 Q16236 2/20 0.47
▸ TUBB1 Q9H4B7 1/20 0.46
▸ NCF1 P14598 1/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP19A1 P11511 1/20 0.42
▸ RELA Q04206 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C19 P33261 2/20 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
SCHEMBL20595513 0.84 CYP1A2 (0.48) CYP1A1CYP1B1CYP1A2NFE2L2NCF1
SCHEMBL28472704 0.82 CYP1A2 (0.52) CYP1A1CYP1B1CYP1A2NFE2L2TUBB1
SCHEMBL19766709 0.82 CYP1A2 (0.52) CYP1A1CYP1B1CYP1A2NFE2L2TUBB1
SCHEMBL17821561 0.81 CYP1A2 (0.50) CYP1A1CYP1B1CYP1A2NFE2L2TUBB1
SCHEMBL17821560 0.81 CYP1A2 (0.50) CYP1A1CYP1B1CYP1A2NFE2L2TUBB1
SCHEMBL14820093 0.78 CYP1A2 (0.52) CYP1A1CYP1B1CYP1A2NFE2L2ALDH1A1
SCHEMBL17106543 0.78 CYP1A2 (0.52) CYP1A1CYP1B1CYP1A2NFE2L2ALDH1A1
SCHEMBL17106542 0.78 CYP1A2 (0.52) CYP1A1CYP1B1CYP1A2NFE2L2ALDH1A1
SCHEMBL20227828 0.78 MAPT (0.54) ALDH1A1KDM4EMEN1MAPTHPGD
SCHEMBL13344127 0.77 CYP1A2 (0.46) CYP1A1CYP1B1CYP1A2NFE2L2TUBB1

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-11939319-B2 Pyridinyl and pyrazinyl-(asa)indolsulfonamides UCB PHARMA GMBH (DE) 2024-03-26 — — US disclosed
US-20230202985-A1 Indoles, Indazoles, and Related Analogs for Inhibiting YAP/TAZ-TEAD CISTIM LEUVEN VZW (BE) 2023-06-29 — — US disclosed
US-20210206749-A1 Pyridinyl and Pyrazinyl-(Asa)Indolsulfonamides UCB PHARMA GMBH (DE) 2021-07-08 — — US 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 (3 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-20230202985-A1 Indoles, Indazoles, and Related Analogs for Inhibiting YAP/TAZ-TEAD YAP1, TEAD2, TEAD3 CYP1A1 3122/4885CYP1B1 2673/4885CYP1A2 2887/4885
US-20210206749-A1 Pyridinyl and Pyrazinyl-(Asa)Indolsulfonamides GPR17, GPR18, GPR119 CYP1A1 1488/4885CYP1B1 1406/4885CYP1A2 1013/4885
US-11939319-B2 Pyridinyl and pyrazinyl-(asa)indolsulfonamides GPR17, GPR18, GPR119 CYP1A1 1488/4885CYP1B1 1406/4885CYP1A2 1013/4885

“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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