SCHEMBL1960179

SCHEMBL1960179

COc1ccc(/C(C#N)=C/c2cc3ccccc3nc2Cl)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.53
▸ CYP2C9 P11712 5/20 0.53
▸ CYP2C19 P33261 5/20 0.53
▸ LMNA P02545 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ RECQL P46063 2/20 0.53
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ CYP2D6 P10635 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ MAPT P10636 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ CREBBP Q92793 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
SCHEMBL1960180 1.00 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19LMNAHPGD
SCHEMBL1959908 0.88 EGFR (0.49) CYP1A2CYP2C9KDM4EKMT2ACYP3A4
SCHEMBL1959913 0.88 EGFR (0.49) CYP1A2CYP2C9KDM4EKMT2ACYP3A4
SCHEMBL1956955 0.81 GLA (0.54) CYP1A2CYP2C9CYP2C19LMNAHPGD
SCHEMBL1956953 0.81 GLA (0.54) CYP1A2CYP2C9CYP2C19LMNAHPGD
SCHEMBL1959689 0.79 PDE4B (0.46) RECQLMAPTSMN1; SMN2HIF1AEGFR
SCHEMBL1959686 0.79 PDE4B (0.46) RECQLMAPTSMN1; SMN2HIF1AEGFR
SCHEMBL5613889 0.78 KDM4E (0.49) HPGDRECQLKDM4EALDH1A1KMT2A
SCHEMBL5613888 0.78 KDM4E (0.49) HPGDRECQLKDM4EALDH1A1KMT2A
SCHEMBL1957465 0.76 GCGR (0.48) CYP1A2CYP2C9CYP2C19RECQLKDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332905-B1 BCRP/ABCG2 Inhibitor YAKULT HONSHA KK (JP) 2017-03-01 — — EP claimed
US-8697742-B2 BCRP/ABCG2 inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-04-15 — — US claimed
EP-2332905-A1 BCRP/ABCG3 Inhibitor Kabushiki Kaisha Yakult Honsha (JP) 2011-06-15 — — EP claimed
US-20090253656-A1 BCRP/ABCG2 INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-10-08 — — US claimed
EP-1864972-A1 BCRP/ABCG2 INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2007-12-12 — — EP claimed
EP-2332905-B1 BCRP/ABCG2 Inhibitor YAKULT HONSHA KK (JP) 2017-03-01 — — EP disclosed
US-8697742-B2 BCRP/ABCG2 inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-04-15 — — US disclosed
EP-2332905-A1 BCRP/ABCG3 Inhibitor Kabushiki Kaisha Yakult Honsha (JP) 2011-06-15 — — EP disclosed
US-20090253656-A1 BCRP/ABCG2 INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-10-08 — — US disclosed
EP-1864972-A1 BCRP/ABCG2 INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2007-12-12 — — EP 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-20090253656-A1 BCRP/ABCG2 INHIBITOR ABCC1, ABCB1, BRCA1 CYP1A2 199/4885CYP2C9 389/4885CYP2C19 317/4885

“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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