SCHEMBL21499357

SCHEMBL21499357

COc1cc2c(cc1NC(=O)c1ccc(OC(F)(F)F)cc1)CCCCN2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ DHODH Q02127 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ TRPV1 Q8NER1 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TP53 P04637 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ABL1 P00519 3/20 0.44
▸ ALOX15 P16050 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
SCHEMBL21499328 0.89 MAPT (0.61) MAPTLMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL21499332 0.87 LMNA (0.58) MAPTLMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL21468450 0.87 DHODH (0.71) MAPTLMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL21499393 0.86 MAPT (0.58) MAPTLMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL21499314 0.86 MAPT (0.56) MAPTLMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL21468548 0.86 MAPT (0.76) MAPTLMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL21499312 0.86 MAPT (0.58) MAPTLMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL21499303 0.85 DHODH (0.59) MAPTLMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL21499394 0.85 MAPT (0.64) MAPTLMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL21499368 0.84 ALDH1A1 (0.59) MAPTLMNAALDH1A1SMN1; SMN2DHODH

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 MAPT 760/4885LMNA 3559/4885ALDH1A1 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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