SCHEMBL430762

SCHEMBL430762

Cc1cc(C)c(C2C(=O)CC(=Cc3cc(Br)ccn3)C2=O)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ XBP1 P17861 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL428660 0.89 NPC1 (0.34) NPC1ALDH1A1MAPTXBP1RAB9A
SCHEMBL428552 0.85 SPR (0.30) —
SCHEMBL464644 0.84 MAPT (0.48) NPC1ALDH1A1MAPTXBP1RAB9A
SCHEMBL430381 0.84 MAPT (0.48) NPC1ALDH1A1MAPTXBP1RAB9A
SCHEMBL430763 0.83 PROKR1 (0.31) NPC1ALDH1A1MAPTXBP1RAB9A
SCHEMBL428616 0.82 MAPT (0.46) NPC1ALDH1A1MAPTXBP1RAB9A
SCHEMBL427516 0.81 PSEN1 (0.35) —
SCHEMBL428636 0.79 — —
SCHEMBL428566 0.78 KDM4E (0.32) MAPTSMN1; SMN2NPSR1KDM4E
SCHEMBL427490 0.78 — —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2375898-B1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-09-16 — — EP disclosed
US-8889595-B2 Herbicides SYNGENTA PARTICIPATIONS AG (CH) 2014-11-18 — — US disclosed
US-8889595-B2 Herbicides SYNGENTA PARTICIPATIONS AG (CH) 2014-11-18 — — US disclosed
US-20120065064-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 — — 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-20120065064-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP4X1 NPC1 4593/4885ALDH1A1 10/4885MAPT 3792/4885

“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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