SCHEMBL23090390

SCHEMBL23090390

CCn1nc(NC(=O)c2cc3c(nc2OC)CCCCC3)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ EPHX2 P34913 2/20 0.40
▸ SMN1; SMN2 Q16637 8/20 0.40
▸ ALDH1A1 P00352 8/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ PPARG P37231 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ NPC1 O15118 4/20 0.39
▸ GPR6 P46095 1/20 0.39
▸ TSHR P16473 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ LMNA P02545 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 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
SCHEMBL23090414 0.83 DHODH (0.50) KDM4EEPHX2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL23090399 0.80 EPHX2 (0.47) EPHX2SMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL23105332 0.80 EPHX2 (0.47) EPHX2SMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL7911369 0.73 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1KMT2APPARG
SCHEMBL23090377 0.72 DHODH (0.49) SMN1; SMN2ALDH1A1KMT2ANPC1GPR6
SCHEMBL23090393 0.71 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1KMT2APPARG
SCHEMBL23090408 0.71 DHODH (0.67) SMN1; SMN2ALDH1A1LMNAMAPTTP53
SCHEMBL7916722 0.71 SLC9A1 (0.45) KDM4ESMN1; SMN2ALDH1A1KMT2APPARG
SCHEMBL23090374 0.70 DHODH (0.47) KDM4ESMN1; SMN2ALDH1A1KMT2APPARG
SCHEMBL25274599 0.70 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1KMT2APPARG

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 KDM4E 1009/4885EPHX2 3545/4885SMN1; SMN2 1489/4885
US-11066357-B2 Benzoannulene derivatives as antiviral agents ZC3HAV1, MAVS, ZC3HAV1L KDM4E 1009/4885EPHX2 3545/4885SMN1; 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