SCHEMBL21499386

SCHEMBL21499386

CCn1nc(C(=O)Nc2cc3c(cc2OC)NCCCC3)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ GPR6 P46095 1/20 0.41
▸ MAPT P10636 5/20 0.40
▸ LMNA P02545 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ DHODH Q02127 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ 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
▸ NPC1 O15118 1/20 0.38
▸ USP2 O75604 1/20 0.38

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
SCHEMBL21468520 0.87 DHODH (0.51) AURKARPS6KB1ALDH1A1GPR6MAPT
SCHEMBL21499378 0.85 RAB9A (0.44) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL21499350 0.81 AURKA (0.56) AURKARPS6KB1MAPTSMN1; SMN2HTT
SCHEMBL21499365 0.79 HTT (0.48) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL21499373 0.78 ALDH1A1 (0.44) ALDH1A1GPR6MAPTLMNASMN1; SMN2
SCHEMBL21499384 0.78 LMNA (0.42) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL21499314 0.76 MAPT (0.56) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL21499379 0.75 RAB9A (0.49) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL21499358 0.75 MAPT (0.57) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL21499368 0.74 ALDH1A1 (0.59) ALDH1A1MAPTLMNASMN1; SMN2HTT

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 AURKA 324/4885RPS6KB1 3084/4885ALDH1A1 187/4885

“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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