SCHEMBL23090394

SCHEMBL23090394

COc1cc2c(cc1C(=O)Nc1cnc(C(C)(C)C)s1)CCCCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 5/20 0.58
▸ MAPT P10636 6/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ RAB9A P51151 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ POLB P06746 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
SCHEMBL23090406 0.80 DHODH (0.58) DHODHMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL23090383 0.80 DHODH (0.64) DHODHMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL21468460 0.78 DHODH (0.59) DHODHMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL23090412 0.76 DHODH (0.71) DHODHMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL23090382 0.74 DHODH (1.00) DHODHMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL23090375 0.72 DHODH (0.59) DHODHMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL23651305 0.71 DHODH (0.77) DHODHMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL23090367 0.70 DHODH (1.00) DHODHMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL23090368 0.70 DHODH (0.53) DHODHMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL21468476 0.68 RAB9A (0.52) MAPTSMN1; SMN2LMNAALDH1A1HTT

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 4 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-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
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 DHODH 344/4885MAPT 997/4885SMN1; SMN2 1489/4885
US-11066357-B2 Benzoannulene derivatives as antiviral agents ZC3HAV1, MAVS, ZC3HAV1L DHODH 344/4885MAPT 997/4885SMN1; SMN2 1489/4885

“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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