SCHEMBL23105251

SCHEMBL23105251

CCn1nc(NCc2cc3c(cc2OC)CCCCC3)cc1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.40
▸ POLB P06746 3/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ EPHX2 P34913 2/20 0.35
▸ MAPT P10636 5/20 0.34
▸ LMNA P02545 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ GAA P10253 4/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ ABCB1 P08183 1/20 0.31

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
SCHEMBL23090414 0.76 DHODH (0.50) MEN1KMT2AEPHX2MAPTLMNA
SCHEMBL23105332 0.70 EPHX2 (0.47) POLBKMT2AEPHX2MAPTLMNA
SCHEMBL21468520 0.70 DHODH (0.51) MEN1KMT2AEPHX2MAPTLMNA
SCHEMBL9846212 0.65 SLC2A1 (0.40) SLC2A1POLBMEN1KMT2AMAPT
SCHEMBL23090399 0.65 EPHX2 (0.47) POLBKMT2AEPHX2MAPTLMNA
SCHEMBL23090390 0.65 KDM4E (0.41) POLBMEN1KMT2AEPHX2MAPT
SCHEMBL13332559 0.64 HSD17B1 (0.51) SLC2A1POLBMEN1KMT2AMAPT
SCHEMBL23651287 0.64 KMT2A (0.40) SLC2A1POLBMEN1KMT2AMAPT
SCHEMBL23090369 0.62 SLC2A1 (0.53) SLC2A1MEN1KMT2AMAPTLMNA
SCHEMBL59900 0.61 MAPT (0.62) SLC2A1MAPTALDH1A1KDM4EGAA

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-11066357-B2 Benzoannulene derivatives as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2021-07-20 — — US disclosed
US-20210078937-A1 BENZOANNULENE DERIVATIVES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE 2021-03-18 — — 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 (2 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-20210078937-A1 BENZOANNULENE DERIVATIVES AS ANTIVIRAL AGENTS ZC3HAV1, MAVS, ZC3HAV1L SLC2A1 3161/4885POLB 2817/4885MEN1 2888/4885
US-11066357-B2 Benzoannulene derivatives as antiviral agents ZC3HAV1, MAVS, ZC3HAV1L SLC2A1 3161/4885POLB 2817/4885MEN1 2888/4885

“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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