SCHEMBL21499347

SCHEMBL21499347

COc1cc2c(cc1NC(=O)c1cc(C)n(C(C)(C)C)n1)CCCCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 5/20 0.56
▸ MAPT P10636 6/20 0.55
▸ LMNA P02545 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ HTT P42858 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ RAB9A P51151 5/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ KDM4E B2RXH2 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
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.44
▸ USP2 O75604 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 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
SCHEMBL21499378 0.87 RAB9A (0.44) DHODHMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL21468520 0.83 DHODH (0.51) DHODHMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL23090376 0.78 DHODH (0.55) DHODHMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL21468474 0.76 ALDH1A1 (0.57) DHODHMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL21468452 0.74 DHODH (0.54) DHODHMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL21468457 0.72 DHODH (1.00) DHODHMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL21468449 0.72 DHODH (0.69) DHODHMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL21468478 0.71 DHODH (0.84) DHODHMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL21468525 0.71 DHODH (0.76) DHODHMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL21468479 0.70 LMNA (0.61) DHODHMAPTLMNAALDH1A1SMN1; 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 DHODH 593/4885MAPT 760/4885LMNA 3559/4885

“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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