SCHEMBL30996951

SCHEMBL30996951

[C-]#[N+]/C=C\c1cccnc1Br

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRIM24 O15164 1/20 0.53
▸ TRIM33 Q9UPN9 1/20 0.53
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 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
SCHEMBL7216984 0.74 — —
SCHEMBL18260234 0.70 TRIM24 (0.53) TRIM24TRIM33MEN1NPC1RAB9A
SCHEMBL18260236 0.70 TRIM24 (0.53) TRIM24TRIM33MEN1NPC1RAB9A
SCHEMBL1157127 0.70 TRIM24 (0.53) TRIM24TRIM33MEN1NPC1RAB9A
SCHEMBL1157125 0.70 TRIM24 (0.53) TRIM24TRIM33MEN1NPC1RAB9A
SCHEMBL29896681 0.70 — —
SCHEMBL312205 0.70 — —
SCHEMBL828263 0.70 — —
SCHEMBL18260242 0.69 TRIM24 (0.56) TRIM24TRIM33MEN1KMT2AKDM4E
SCHEMBL18260244 0.69 TRIM24 (0.56) TRIM24TRIM33MEN1KMT2AKDM4E

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-20240246905-A1 VINYL ISOCYANIDE COMPOUNDS AS ANTIBACTERIAL AGENTS UNIVERSITY OF LEICESTER (GB) 2024-07-25 — — 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-20240246905-A1 VINYL ISOCYANIDE COMPOUNDS AS ANTIBACTERIAL AGENTS CBR3, CBR1, IDH3A TRIM24 4608/4885TRIM33 4368/4885MEN1 481/4885

“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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