SCHEMBL23090374

SCHEMBL23090374

COc1nc2c(cc1C(=O)Nc1ncc(C(C)(C)C)cn1)CCCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 5/20 0.47
▸ MAPT P10636 7/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ GPR6 P46095 1/20 0.37
▸ POLB P06746 4/20 0.37
▸ TP53 P04637 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ SLC9A1 P19634 1/20 0.36
▸ CDK5 Q00535 2/20 0.36
▸ CDK5R1 Q15078 2/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ SORT1 Q99523 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL23090377 0.87 DHODH (0.49) DHODHMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL23090408 0.84 DHODH (0.67) DHODHMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL23090402 0.77 DHODH (0.55) DHODHMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7911369 0.75 KDM4E (0.49) MAPTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL23090393 0.74 KDM4E (0.47) MAPTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL7916722 0.73 SLC9A1 (0.45) DHODHMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL25274599 0.72 KDM4E (0.48) MAPTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL23090390 0.70 KDM4E (0.41) MAPTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL25279182 0.70 POLB (0.45) MAPTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL25225296 0.69 ALDH1A1 (0.43) MAPTSMN1; SMN2ALDH1A1LMNAHTT

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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