SCHEMBL23090387

SCHEMBL23090387

COc1cc2c(cc1C(=O)Nc1cccnc1SC)CCCCC2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.53
▸ LMNA P02545 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HTT P42858 1/20 0.52
▸ DHODH Q02127 4/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ NPC1 O15118 2/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL23651287 0.76 KMT2A (0.40) LMNAMEN1KMT2ASMN1; SMN2HTT
SCHEMBL23090371 0.71 DHODH (0.71) RAB9ALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL23090386 0.70 ABCB1 (0.61) RAB9ALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL23090412 0.69 DHODH (0.71) RAB9ALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL23090382 0.68 DHODH (1.00) RAB9ALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL23651305 0.68 DHODH (0.77) RAB9ALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL23090367 0.68 DHODH (1.00) RAB9ALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL21468503 0.67 ALDH1A1 (0.64) RAB9ALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7797989 0.67 MEN1 (0.51) RAB9ALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL21468511 0.67 DHODH (0.75) RAB9ALMNAMEN1KMT2ASMN1; SMN2

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 RAB9A 1095/4885LMNA 3202/4885MEN1 2888/4885
US-11066357-B2 Benzoannulene derivatives as antiviral agents ZC3HAV1, MAVS, ZC3HAV1L RAB9A 1095/4885LMNA 3202/4885MEN1 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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