SCHEMBL21499376

SCHEMBL21499376

COc1cc2c(cc1NC(=O)c1ccc(-c3ccccn3)cc1)CCCCN2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 3/20 0.50
DHODH Q02127 2/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CREBBP Q92793 1/20 0.46
MAPK14 Q16539 1/20 0.45
SMO Q99835 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 2/20 0.45
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL21468503 0.88 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2LMNADHODH
SCHEMBL21499368 0.88 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2LMNADHODH
SCHEMBL21499312 0.83 MAPT (0.58) ALDH1A1MAPTSMN1; SMN2LMNADHODH
SCHEMBL21499358 0.82 MAPT (0.57) ALDH1A1MAPTSMN1; SMN2LMNADHODH
SCHEMBL21499332 0.82 LMNA (0.58) ALDH1A1MAPTSMN1; SMN2LMNADHODH
SCHEMBL21499314 0.81 MAPT (0.56) ALDH1A1MAPTSMN1; SMN2LMNADHODH
SCHEMBL21468548 0.81 MAPT (0.76) ALDH1A1MAPTSMN1; SMN2LMNADHODH
SCHEMBL21499319 0.81 MAPT (0.55) ALDH1A1MAPTSMN1; SMN2LMNADHODH
SCHEMBL21499328 0.81 MAPT (0.61) ALDH1A1MAPTSMN1; SMN2LMNADHODH
SCHEMBL21499394 0.81 MAPT (0.64) ALDH1A1MAPTSMN1; SMN2LMNADHODH

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 ALDH1A1 187/4885MAPT 760/4885SMN1; SMN2 804/4885

“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.