SCHEMBL21499381

SCHEMBL21499381

COc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)s1)CCCCN2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ MAPT P10636 5/20 0.50
▸ HPGD P15428 5/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ LMNA P02545 4/20 0.50
▸ DHODH Q02127 3/20 0.50
▸ HTT P42858 3/20 0.50
▸ RAB9A P51151 5/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ ALOX15 P16050 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ GPR55 Q9Y2T6 3/20 0.39
▸ CNR1 P21554 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39

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
SCHEMBL21468541 0.87 DHODH (0.65) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL21468548 0.82 MAPT (0.76) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL21499383 0.81 LMNA (0.55) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL21499313 0.81 MAPT (0.56) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL21499356 0.80 MAPT (0.54) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL21499372 0.79 ALDH1A1 (0.51) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL21499394 0.79 MAPT (0.64) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL21499382 0.78 MAPT (0.61) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL21499368 0.78 ALDH1A1 (0.59) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL21499312 0.77 MAPT (0.58) ALDH1A1MAPTHPGDSMN1; SMN2LMNA

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 760/4885HPGD 2022/4885

“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.

Send feedback