SCHEMBL11910994

SCHEMBL11910994

Brc1cnc(Br)c2ncccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.52
▸ HSP90AA1 P07900 4/20 0.52
▸ HTT P42858 4/20 0.52
▸ TP53 P04637 4/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ APAF1 O14727 1/20 0.52
▸ TDP2 O95551 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ L3MBTL1 Q9Y468 4/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ AXL P30530 1/20 0.41

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
SCHEMBL3381245 0.80 KDM4E (0.49) KDM4EHSP90AA1HTTTP53KMT2A
SCHEMBL18980400 0.80 L3MBTL1 (0.50) KDM4EHSP90AA1HTTTP53KMT2A
SCHEMBL21645154 0.80 KDM4E (0.49) KDM4EHSP90AA1HTTTP53KMT2A
SCHEMBL3380627 0.80 MEN1 (0.58) KDM4EHSP90AA1HTTTP53KMT2A
SCHEMBL21645128 0.76 KDM4E (0.45) KDM4EHSP90AA1HTTTP53KMT2A
SCHEMBL21645147 0.76 KMT2A (0.45) KDM4EHSP90AA1HTTTP53KMT2A
SCHEMBL20278418 0.76 KMT2A (0.45) KDM4EHSP90AA1HTTTP53KMT2A
SCHEMBL21661374 0.76 HSP90AA1 (0.45) KDM4EHSP90AA1HTTTP53KMT2A
SCHEMBL19837171 0.76 NSD2 (0.45) KDM4EHSP90AA1HTTTP53KMT2A
SCHEMBL20265298 0.76 KMT2A (0.49) KDM4EHSP90AA1HTTTP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120195857-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-08-02 — — US disclosed
US-20120195857-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-08-02 — — 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-20120195857-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KDM4E 3857/4885HSP90AA1 329/4885HTT 4592/4885

“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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