SCHEMBL29601391

SCHEMBL29601391

O=[N+]([O-])c1ccc(Cn2cnc3nc(Cl)nc(Cl)c32)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SLC29A1 Q99808 9/20 0.44
▸ CYP19A1 P11511 1/20 0.43
▸ ADORA2A P29274 2/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ DBH P09172 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL17144368 0.87 KMT2A (0.47) MEN1KMT2ALMNASLC29A1ADORA2A
SCHEMBL29853379 0.80 MEN1 (0.58) MEN1KMT2ALMNASLC29A1ADORA2A
SCHEMBL946430 0.80 MEN1 (0.58) MEN1KMT2ALMNASLC29A1ADORA2A
SCHEMBL183167 0.79 YTHDC1 (0.47) KMT2AADORA2A
SCHEMBL29601245 0.79 YTHDC1 (0.47) KMT2AADORA2A
SCHEMBL21883488 0.77 CYP11B1 (0.50) KMT2A
SCHEMBL30496448 0.77 CYP11B1 (0.50) KMT2A
SCHEMBL6900306 0.76 MET (0.47) MEN1KMT2ALMNAADORA2AKDM4E
SCHEMBL30020920 0.76 MET (0.47) MEN1KMT2ALMNAADORA2AKDM4E
SCHEMBL15921469 0.76 P2RX7 (0.40) ADORA2AADORA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 — — EP claimed
US-20220251085-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-08-11 — — US disclosed
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 — — EP 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-20220251085-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF DDB1, HSPBP1, ATIC MEN1 4854/4885KMT2A 4554/4885LMNA 3475/4885

“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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