SCHEMBL21468520

SCHEMBL21468520

CCn1nc(C(=O)Nc2cc3c(cc2OC)CCCCC3)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.51
▸ MAPT P10636 5/20 0.50
▸ AURKA O14965 1/20 0.50
▸ RPS6KB1 P23443 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ LMNA P02545 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HTT P42858 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ RAB9A P51151 4/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GPR6 P46095 1/20 0.42
▸ NPC1 O15118 2/20 0.42

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
SCHEMBL21499386 0.87 AURKA (0.44) DHODHMAPTAURKARPS6KB1ALDH1A1
SCHEMBL21499347 0.83 DHODH (0.56) DHODHMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL21468514 0.79 AURKA (0.62) MAPTAURKARPS6KB1ALDH1A1LMNA
SCHEMBL23090414 0.78 DHODH (0.50) DHODHMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL21468474 0.76 ALDH1A1 (0.57) DHODHMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL21468483 0.74 LMNA (0.52) DHODHMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL21468452 0.74 DHODH (0.54) DHODHMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL21468533 0.72 DHODH (0.74) DHODHMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL21468525 0.71 DHODH (0.76) DHODHMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL21468446 0.70 DHODH (0.71) DHODHMAPTALDH1A1LMNASMN1; 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 2 patents. 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
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 DHODH 593/4885MAPT 760/4885AURKA 324/4885

“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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