SCHEMBL23743213

SCHEMBL23743213

N#CCOc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1OCC#N

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 8/20 0.63
▸ CYP1B1 Q16678 5/20 0.60
▸ CYP1A1 P04798 4/20 0.60
▸ CYP1A2 P05177 2/20 0.57
▸ CDK4 P11802 2/20 0.55
▸ CCND1 P24385 2/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ TNKS O95271 8/20 0.53
▸ TNKS2 Q9H2K2 8/20 0.53
▸ PARP1 P09874 5/20 0.53
▸ PARP2 Q9UGN5 2/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51
▸ TOP2A P11388 1/20 0.51
▸ TOP2B Q02880 1/20 0.51

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
SCHEMBL23743167 0.93 GUSB (0.75) GUSBCYP1B1CYP1A1CYP1A2CDK4
SCHEMBL23743266 0.84 CYP1B1 (0.78) GUSBCYP1B1CYP1A1CYP1A2NPC1
SCHEMBL16018033 0.84 GUSB (0.80) GUSBCYP1B1CYP1A1CYP1A2CDK4
SCHEMBL23743197 0.82 GUSB (0.58) GUSBCYP1B1CYP1A1CYP1A2CDK4
SCHEMBL23743359 0.80 GUSB (0.55) GUSBCYP1B1CYP1A1CYP1A2CDK4
SCHEMBL23743189 0.80 GUSB (0.55) GUSBCYP1B1CYP1A1CYP1A2NPC1
SCHEMBL31238611 0.78 GUSB (1.00) GUSBCYP1B1CYP1A1CYP1A2CDK4
SCHEMBL16007517 0.78 GUSB (1.00) GUSBCYP1B1CYP1A1CYP1A2CDK4
SCHEMBL23743211 0.75 GUSB (0.55) GUSBCYP1B1CYP1A1CYP1A2CDK4
SCHEMBL6885282 0.75 TNKS (0.93) GUSBCYP1B1CYP1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246109-A1 POTENT AND SELECTIVE INHIBITORS OF CYTOCHROME P450 UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2021-08-12 — — 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 (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-20210246109-A1 POTENT AND SELECTIVE INHIBITORS OF CYTOCHROME P450 CYP11B1, CYP1B1, CYP27A1 GUSB 101/4885CYP1B1 2/4885CYP1A1 6/4885

“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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