SCHEMBL23090399

SCHEMBL23090399

CCn1nc(NC(=O)c2cc3c(cc2O)CCCCC3)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ AURKA O14965 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ BLM P54132 1/20 0.36
▸ PTGER1 P34995 1/20 0.36
▸ GAA P10253 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
SCHEMBL23105332 0.88 EPHX2 (0.47) EPHX2SMN1; SMN2TSHRHSD17B10ALDH1A1
SCHEMBL23090414 0.85 DHODH (0.50) EPHX2SMN1; SMN2TSHRHSD17B10ALDH1A1
SCHEMBL23090390 0.80 KDM4E (0.41) EPHX2SMN1; SMN2TSHRHSD17B10ALDH1A1
SCHEMBL21468514 0.70 AURKA (0.62) SMN1; SMN2HSD17B10ALDH1A1LMNANPSR1
SCHEMBL21468520 0.68 DHODH (0.51) EPHX2SMN1; SMN2HSD17B10ALDH1A1LMNA
SCHEMBL23090376 0.68 DHODH (0.55) SMN1; SMN2ALDH1A1LMNARAB9ACYP1A2
SCHEMBL23090395 0.67 DHODH (0.50) SMN1; SMN2ALDH1A1LMNARAB9AKMT2A
SCHEMBL23105251 0.65 SLC2A1 (0.40) EPHX2SMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL11453172 0.65 HMGCR (0.51) TSHRHSD17B10ALDH1A1LMNARAB9A
SCHEMBL23090370 0.64 DHODH (0.72) EPHX2SMN1; SMN2ALDH1A1LMNANPSR1

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 EPHX2 3545/4885SMN1; SMN2 1489/4885TSHR 4334/4885
US-11066357-B2 Benzoannulene derivatives as antiviral agents ZC3HAV1, MAVS, ZC3HAV1L EPHX2 3545/4885SMN1; SMN2 1489/4885TSHR 4334/4885

“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