SCHEMBL21499378

SCHEMBL21499378

COc1cc2c(cc1NC(=O)c1cc(C)n(C(C)(C)C)n1)CCCCN2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ MAPT P10636 6/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ DHODH Q02127 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TP53 P04637 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
SCHEMBL21499347 0.87 DHODH (0.56) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL21499386 0.85 AURKA (0.44) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL21499365 0.79 HTT (0.48) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL21499373 0.78 ALDH1A1 (0.44) RAB9AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL21468548 0.76 MAPT (0.76) RAB9AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL21499392 0.76 MAPT (0.53) RAB9AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL21499379 0.75 RAB9A (0.49) RAB9AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL21499394 0.75 MAPT (0.64) RAB9AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL21499358 0.75 MAPT (0.57) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL21499368 0.74 ALDH1A1 (0.59) RAB9AMAPTALDH1A1LMNASMN1; SMN2

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 1314/4885NPC1 908/4885MAPT 760/4885

“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