SCHEMBL21499394

SCHEMBL21499394

COc1cc2c(cc1NC(=O)c1ccc(C(C)(C)O)cc1)CCCCN2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
DHODH Q02127 3/20 0.64
ALDH1A1 P00352 3/20 0.64
LMNA P02545 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
HPGD P15428 1/20 0.64
HTT P42858 1/20 0.64
KDM4E B2RXH2 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 2/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 2/20 0.43
ACHE P22303 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL21468548 0.93 MAPT (0.76) MAPTDHODHALDH1A1LMNASMN1; SMN2
SCHEMBL21499395 0.90 MAPT (0.62) MAPTDHODHALDH1A1LMNASMN1; SMN2
SCHEMBL21499328 0.90 MAPT (0.61) MAPTDHODHALDH1A1LMNASMN1; SMN2
SCHEMBL21499393 0.89 MAPT (0.58) MAPTDHODHALDH1A1LMNASMN1; SMN2
SCHEMBL21499314 0.88 MAPT (0.56) MAPTDHODHALDH1A1LMNASMN1; SMN2
SCHEMBL21499312 0.88 MAPT (0.58) MAPTDHODHALDH1A1LMNASMN1; SMN2
SCHEMBL21499358 0.87 MAPT (0.57) MAPTDHODHALDH1A1LMNASMN1; SMN2
SCHEMBL21499332 0.87 LMNA (0.58) MAPTDHODHALDH1A1LMNASMN1; SMN2
SCHEMBL21499368 0.87 ALDH1A1 (0.59) MAPTDHODHALDH1A1LMNASMN1; SMN2
SCHEMBL21468478 0.86 DHODH (0.84) MAPTDHODHALDH1A1LMNASMN1; 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 MAPT 760/4885DHODH 593/4885ALDH1A1 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.