SCHEMBL23090377

SCHEMBL23090377

COc1nc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cn1)CCCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 5/20 0.49
▸ SORT1 Q99523 2/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ DEGS1 O15121 1/20 0.41
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ RXFP1 Q9HBX9 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ GPR6 P46095 1/20 0.37
▸ TP53 P04637 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ MITF O75030 1/20 0.37

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
SCHEMBL23090374 0.87 DHODH (0.47) DHODHSORT1SMN1; SMN2MAPTALDH1A1
SCHEMBL23090408 0.85 DHODH (0.67) DHODHSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL23090412 0.83 DHODH (0.71) DHODHSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL23090395 0.80 DHODH (0.50) DHODHSORT1SMN1; SMN2MAPTALDH1A1
SCHEMBL23090402 0.79 DHODH (0.55) DHODHSORT1SMN1; SMN2MAPTALDH1A1
SCHEMBL7911369 0.73 KDM4E (0.49) SMN1; SMN2MAPTALDH1A1LMNAHPGD
SCHEMBL23090390 0.72 KDM4E (0.41) SMN1; SMN2MAPTALDH1A1LMNAHPGD
SCHEMBL23090393 0.71 KDM4E (0.47) SORT1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL7916722 0.71 SLC9A1 (0.45) DHODHSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL25274599 0.70 KDM4E (0.48) SORT1SMN1; SMN2MAPTALDH1A1LMNA

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 344/4885SORT1 4570/4885SMN1; SMN2 1489/4885
US-11066357-B2 Benzoannulene derivatives as antiviral agents ZC3HAV1, MAVS, ZC3HAV1L DHODH 344/4885SORT1 4570/4885SMN1; 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.

Send feedback