SCHEMBL21468474

SCHEMBL21468474

COc1cc2c(cc1NC(=O)c1cnc(C)cn1)CCCCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.57
▸ SMN1; SMN2 Q16637 6/20 0.56
▸ MAPT P10636 5/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ TP53 P04637 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ DHODH Q02127 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ HTT P42858 4/20 0.54
▸ LMNA P02545 3/20 0.54
▸ HPGD P15428 3/20 0.54
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ ALOX15 P16050 1/20 0.53

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
SCHEMBL21499365 0.86 HTT (0.48) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL21468481 0.79 DHODH (0.57) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL21468452 0.79 DHODH (0.54) ALDH1A1SMN1; SMN2MAPTRAB9ATP53
SCHEMBL25382253 0.77 HTT (0.58) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL30354797 0.77 HTT (0.58) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL21468449 0.76 DHODH (0.69) ALDH1A1SMN1; SMN2MAPTRAB9ATP53
SCHEMBL21499347 0.76 DHODH (0.56) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL21499334 0.75 LMNA (0.65) ALDH1A1SMN1; SMN2MAPTRAB9ATP53
SCHEMBL21468490 0.75 LMNA (0.58) ALDH1A1SMN1; SMN2MAPTRAB9ADHODH
SCHEMBL21468525 0.75 DHODH (0.76) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1

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 2 patents. 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
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 187/4885SMN1; SMN2 804/4885MAPT 760/4885

“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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