SCHEMBL23651287

SCHEMBL23651287

COc1cc2c(cc1CNc1cccnc1SC)CCCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 7/20 0.39
▸ MAPT P10636 6/20 0.39
▸ HPGD P15428 4/20 0.39
▸ HTT P42858 2/20 0.39
▸ PTBP1 P26599 1/20 0.39
▸ LMNA P02545 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ POLB P06746 3/20 0.38
▸ GAA P10253 3/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL23090387 0.76 RAB9A (0.53) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL7053155 0.64 LMNA (0.48) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL31439216 0.64 LMNA (0.48) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL23105251 0.64 SLC2A1 (0.40) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL23090369 0.63 SLC2A1 (0.53) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL9846212 0.61 SLC2A1 (0.40) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL14007510 0.61 MEN1 (0.51) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL28223231 0.61 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL21104592 0.61 KMT2A (0.41) KMT2AMEN1HPGDKDM4EGAA
SCHEMBL1198762 0.60 APLNR (0.50) KMT2AMEN1ALDH1A1MAPTLMNA

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-11066357-B2 Benzoannulene derivatives as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2021-07-20 — — 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-11066357-B2 Benzoannulene derivatives as antiviral agents ZC3HAV1, MAVS, ZC3HAV1L KMT2A 3836/4885MEN1 2888/4885ALDH1A1 844/4885

“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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