SCHEMBL31432873

SCHEMBL31432873

COc1cc(CN=[N+]=[N-])cc(OC)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 5/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ GAA P10253 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MAPT P10636 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ USP2 O75604 2/20 0.30

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
SCHEMBL18519766 0.80 AR (0.46) ALDH1A1KDM4EUSP2
SCHEMBL19231652 0.80 PTGS2 (0.52) ALDH1A1CYP3A4KDM4ELMNAMAPT
SCHEMBL27530998 0.75 TRPV4 (0.42) —
SCHEMBL23070508 0.75 CA2 (0.55) ALDH1A1CYP1A2CYP3A4KDM4ESMN1; SMN2
SCHEMBL24340396 0.73 NPC1 (0.41) RAB9ANPC1ALDH1A1HSD17B10CYP1A2
SCHEMBL23622414 0.72 PTGS2 (0.47) ALDH1A1CYP1A2LMNACA2PTGS2
SCHEMBL24340391 0.72 AR (0.42) RAB9ANPC1ALDH1A1HSD17B10CYP1A2
SCHEMBL15227173 0.72 GRIN2D (0.46) ALDH1A1CYP3A4MAPK1MAPT
SCHEMBL31432990 0.72 NPC1 (0.44) RAB9ANPC1ALDH1A1HSD17B10CYP1A2
SCHEMBL31432817 0.72 NPC1 (0.41) RAB9ANPC1ALDH1A1HSD17B10CYP1A2

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-20250129016-A1 PHOTOREDOX METHODS FOR RADIOCYANATION OF ARENES AND USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2025-04-24 — — 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-20250129016-A1 PHOTOREDOX METHODS FOR RADIOCYANATION OF ARENES AND USE THEREOF RCC2, PPOX, FTO RAB9A 2322/4885NPC1 2076/4885ALDH1A1 2660/4885

“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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