SCHEMBL22463141

SCHEMBL22463141

[N-]=[N+]=NCc1ccc(SCc2cc(=O)n(-c3nc4ccccc4[nH]3)[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.49
▸ L3MBTL1 Q9Y468 4/20 0.49
▸ POLB P06746 4/20 0.49
▸ TDP1 Q9NUW8 3/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ CASP1 P29466 2/20 0.49
▸ KDM4A O75164 1/20 0.49
▸ KDM4B O94953 1/20 0.49
▸ KDM4D Q6B0I6 1/20 0.49
▸ KDM4C Q9H3R0 1/20 0.49
▸ ALKBH3 Q96Q83 11/20 0.47
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ GAA P10253 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ ALPL P05186 1/20 0.46
▸ ALPI P09923 1/20 0.46
▸ ALPG P10696 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL20830336 0.85 KDM4E (0.60) KDM4EL3MBTL1POLBTDP1ALOX15
SCHEMBL20819222 0.85 KDM4E (0.59) KDM4EL3MBTL1POLBTDP1ALOX15
SCHEMBL20830326 0.84 KDM4E (0.54) KDM4EL3MBTL1POLBTDP1ALOX15
SCHEMBL20830286 0.83 KDM4E (0.55) KDM4EL3MBTL1POLBTDP1ALOX15
SCHEMBL20830340 0.82 KDM4E (0.56) KDM4EL3MBTL1POLBTDP1ALOX15
SCHEMBL20830148 0.82 KDM4E (0.54) KDM4EL3MBTL1POLBTDP1ALOX15
SCHEMBL22487937 0.81 KDM4E (0.52) KDM4EL3MBTL1POLBTDP1ALOX15
SCHEMBL20819227 0.80 KDM4E (0.57) KDM4EL3MBTL1POLBTDP1ALOX15
SCHEMBL20819216 0.79 KDM4E (0.53) KDM4EL3MBTL1POLBTDP1ALOX15
SCHEMBL20819201 0.79 KDM4E (0.55) KDM4EL3MBTL1POLBTDP1ALOX15

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-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 — — 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-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof KRAS, NRAS, HRAS KDM4E 3372/4885L3MBTL1 4627/4885POLB 3205/4885

“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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