SCHEMBL21468489

SCHEMBL21468489

CC(C)(C)n1nc(C(=O)Nc2ccc3c(c2)CCCCC3)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 15/20 0.51
▸ NPC1 O15118 12/20 0.51
▸ GAA P10253 2/20 0.51
▸ SMN1; SMN2 Q16637 9/20 0.49
▸ TP53 P04637 6/20 0.49
▸ MAPT P10636 6/20 0.49
▸ NFKB1 P19838 6/20 0.49
▸ NFKB2 Q00653 6/20 0.49
▸ RELA Q04206 6/20 0.49
▸ HTT P42858 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ BLM P54132 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
SCHEMBL21499387 0.87 PLAU (0.43) RAB9ANPC1GAASMN1; SMN2TP53
SCHEMBL21468514 0.73 AURKA (0.62) RAB9ANPC1GAASMN1; SMN2TP53
SCHEMBL1719610 0.70 MAPT (0.67) SMN1; SMN2TP53MAPTALDH1A1HPGD
SCHEMBL21468516 0.70 NPC1 (0.68) RAB9ANPC1GAASMN1; SMN2TP53
SCHEMBL950878 0.69 ALDH1A1 (0.46) RAB9ANPC1GAASMN1; SMN2MAPT
SCHEMBL1719345 0.69 MAPT (0.63) RAB9AGAASMN1; SMN2TP53MAPT
SCHEMBL2244056 0.68 BAZ2B (0.67) RAB9ANPC1GAASMN1; SMN2TP53
SCHEMBL950506 0.67 NPC1 (0.38) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL2245582 0.66 BAZ2B (0.64) RAB9ANPC1GAASMN1; SMN2TP53
SCHEMBL21499347 0.66 DHODH (0.56) RAB9ANPC1SMN1; SMN2TP53MAPT

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 RAB9A 1314/4885NPC1 908/4885GAA 186/4885

“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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