SCHEMBL464680

SCHEMBL464680

Cc1cc(C)c(C2C(=O)C/C(=C\c3ccc(Cl)nc3)C2=O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAOB P27338 2/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ MAOA P21397 1/20 0.30

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
SCHEMBL429871 1.00 NPC1 (0.39) NPC1HTTRAB9AMAOBMEN1
SCHEMBL10280577 0.80 MAPT (0.48) NPC1HTTRAB9AMEN1ALDH1A1
SCHEMBL428525 0.80 MAPT (0.48) NPC1HTTRAB9AMEN1ALDH1A1
SCHEMBL10280041 0.79 MAPT (0.43) NPC1HTTRAB9AALDH1A1MAPT
SCHEMBL428614 0.79 MAPT (0.43) NPC1HTTRAB9AALDH1A1MAPT
SCHEMBL427471 0.77 PBRM1 (0.32) —
SCHEMBL429932 0.76 MAOA (0.41) MEN1ALDH1A1MAPTKMT2AMAOA
SCHEMBL428522 0.76 NFE2L2 (0.30) —
SCHEMBL430429 0.76 KDM4E (0.37) —
SCHEMBL10280051 0.76 NFE2L2 (0.30) —

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-20120065064-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 — — US disclosed
WO-2010069834-A1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 — — WO 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-20120065064-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP4X1 NPC1 4593/4885HTT 524/4885RAB9A 3219/4885

“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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