SCHEMBL23743359

SCHEMBL23743359

COc1cc(-c2nc3ccc(I)cc3c(=O)[nH]2)ccc1OCC#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CYP1A1 P04798 2/20 0.50
▸ CYP1B1 Q16678 2/20 0.50
▸ CDK4 P11802 3/20 0.49
▸ CCND1 P24385 3/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ MPO P05164 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ FGFR1 P11362 2/20 0.41
▸ EGFR P00533 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ NPC1 O15118 1/20 0.40

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 0.87 GUSB (0.75) GUSBKDM4EMEN1ALDH1A1POLB
SCHEMBL23743197 0.85 GUSB (0.58) GUSBKDM4EMEN1ALDH1A1POLB
SCHEMBL23743213 0.80 GUSB (0.63) GUSBCYP1A1CYP1B1CDK4CCND1
SCHEMBL17786541 0.74 GUSB (0.71) GUSBKDM4EMEN1ALDH1A1POLB
SCHEMBL23743249 0.72 CYP1B1 (0.71) GUSBKDM4EALDH1A1MAPTCYP1A1
SCHEMBL31238611 0.72 GUSB (1.00) GUSBKDM4EMEN1ALDH1A1POLB
SCHEMBL16007517 0.72 GUSB (1.00) GUSBKDM4EMEN1ALDH1A1POLB
SCHEMBL11379972 0.72 GUSB (0.68) GUSBKDM4EMEN1ALDH1A1POLB
SCHEMBL23743210 0.70 KDM4E (0.52) GUSBKDM4ECYP1A2NPC1RAB9A
SCHEMBL259583 0.70 GUSB (0.64) GUSBKDM4EMEN1ALDH1A1POLB

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 101/4885KDM4E 3500/4885MEN1 3838/4885

“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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