SCHEMBL29678152

SCHEMBL29678152

Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2[nH]ccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.64
▸ CYP2C9 P11712 4/20 0.64
▸ CYP2C19 P33261 4/20 0.64
▸ CYP3A4 P08684 3/20 0.64
▸ CYP2D6 P10635 3/20 0.64
▸ ABCC3 O15438 1/20 0.64
▸ ESR1 P03372 1/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ PGR P06401 1/20 0.64
▸ CHRM2 P08172 1/20 0.64
▸ ABCB1 P08183 1/20 0.64
▸ ADRA2A P08913 1/20 0.64
▸ CHRM1 P11229 1/20 0.64
▸ DRD1 P21728 1/20 0.64
▸ PTGS1 P23219 1/20 0.64
▸ SLC6A2 P23975 1/20 0.64
▸ ADORA1 P30542 1/20 0.64
▸ ABCC1 P33527 1/20 0.64
▸ OPRM1 P35372 1/20 0.64
▸ ABCC2 Q92887 1/20 0.64

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
SCHEMBL1716161 1.00 KCNH2 (0.64) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL1716090 0.95 KCNH2 (0.57) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL11936692 0.93 KCNH2 (0.55) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL11936688 0.93 KCNH2 (0.60) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL1716288 0.89 CYP2C9 (0.52) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL11946965 0.89 CYP2C19 (0.52) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL11936693 0.86 KCNH2 (0.53) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL11936691 0.85 CYP2C9 (0.46) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL27873610 0.84 CYP2C9 (0.45) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL11936660 0.84 CYP2C9 (0.62) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240108739-A1 OLIGOMERIC COMPOUNDS BINDING SPECIFICALLY TO PROTEOGLYCANS PHI PHARMA SA (CH) 2024-04-04 — — US disclosed
EP-4262879-A1 OLIGOMERIC COMPOUNDS BINDING SPECIFICALLY TO PROTEOGLYCANS Phi Pharma SA (CH) 2023-10-25 — — EP disclosed
CN-116648266-A Oligomeric compounds that specifically bind to proteoglycans 菲药物股份有限公司 2023-08-25 — — CN disclosed
WO-2022129627-A1 OLIGOMERIC COMPOUNDS BINDING SPECIFICALLY TO PROTEOGLYCANS PHI PHARMA SA (CH) 2022-06-23 — — WO disclosed
EP-4015004-A1 PROTEOGLYCAN SPECIFIC BRANCHED PEPTIDES Phi Pharma SA (CH) 2022-06-22 — — 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-20240108739-A1 OLIGOMERIC COMPOUNDS BINDING SPECIFICALLY TO PROTEOGLYCANS CD44, CSGALNACT1, LGALS3BP KCNH2 4727/4885CYP2C9 4745/4885CYP2C19 4785/4885

“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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