SCHEMBL21499379

SCHEMBL21499379

COc1cc2c(cc1NC(=O)c1c[nH]nc1C)CCCCN2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 6/20 0.43
▸ DHODH Q02127 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.38
▸ TP53 P04637 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TSHR P16473 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
SCHEMBL21468479 0.87 LMNA (0.61) RAB9ALMNASMN1; SMN2MEN1KMT2A
SCHEMBL21499365 0.79 HTT (0.48) RAB9ALMNASMN1; SMN2MEN1KMT2A
SCHEMBL21499331 0.79 LMNA (0.52) RAB9ALMNASMN1; SMN2MEN1KMT2A
SCHEMBL21499368 0.78 ALDH1A1 (0.59) RAB9ALMNASMN1; SMN2MEN1KMT2A
SCHEMBL21499383 0.78 LMNA (0.55) RAB9ALMNASMN1; SMN2MEN1KMT2A
SCHEMBL21499312 0.78 MAPT (0.58) RAB9ALMNASMN1; SMN2MEN1KMT2A
SCHEMBL21499358 0.77 MAPT (0.57) RAB9ALMNASMN1; SMN2MEN1KMT2A
SCHEMBL21499332 0.77 LMNA (0.58) RAB9ALMNASMN1; SMN2MEN1KMT2A
SCHEMBL21468548 0.76 MAPT (0.76) RAB9ALMNASMN1; SMN2MEN1KMT2A
SCHEMBL21499314 0.76 MAPT (0.56) RAB9ALMNASMN1; SMN2MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450263-B2 Benzo annulenes as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2019-10-22 — — 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 (1 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-10450263-B2 Benzo annulenes as antiviral agents MAVS, ZC3HAV1, GABBR1 RAB9A 1314/4885LMNA 3559/4885SMN1; SMN2 804/4885

“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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