SCHEMBL23743257

SCHEMBL23743257

[N-]=[N+]=NCCCOc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 5/20 0.68
▸ GUSB P08236 5/20 0.64
▸ CYP1A1 P04798 4/20 0.60
▸ CYP1A2 P05177 3/20 0.60
▸ TNKS O95271 10/20 0.58
▸ TNKS2 Q9H2K2 10/20 0.58
▸ PARP1 P09874 5/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ CASP3 P42574 1/20 0.58
▸ SENP7 Q9BQF6 1/20 0.58
▸ SENP6 Q9GZR1 1/20 0.58
▸ F11 P03951 1/20 0.53
▸ PARP2 Q9UGN5 2/20 0.52
▸ MAPT P10636 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ APOBEC3G Q9HC16 1/20 0.50

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
SCHEMBL23743193 0.82 CYP1B1 (0.80) CYP1B1GUSBCYP1A1CYP1A2TNKS
SCHEMBL15232132 0.80 CYP1B1 (0.77) CYP1B1GUSBCYP1A1CYP1A2TNKS
SCHEMBL11831977 0.78 GUSB (1.00) CYP1B1GUSBCYP1A1CYP1A2TNKS
SCHEMBL11129269 0.78 GUSB (0.71) CYP1B1GUSBCYP1A1CYP1A2TNKS
SCHEMBL3789322 0.77 CYP1B1 (0.67) CYP1B1GUSBCYP1A1CYP1A2TNKS
SCHEMBL348494 0.76 GUSB (0.73) CYP1B1GUSBCYP1A1CYP1A2TNKS
SCHEMBL6885282 0.76 TNKS (0.93) CYP1B1GUSBCYP1A1TNKSTNKS2
SCHEMBL23743266 0.75 CYP1B1 (0.78) CYP1B1GUSBCYP1A1CYP1A2TNKS
SCHEMBL16375369 0.75 CYP1B1 (1.00) CYP1B1GUSBCYP1A1CYP1A2TNKS
SCHEMBL31238676 0.75 TNKS (0.76) CYP1B1GUSBCYP1A1CYP1A2TNKS

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 CYP1B1 2/4885GUSB 101/4885CYP1A1 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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