SCHEMBL5437164

SCHEMBL5437164

CCc1cc(C)cc(Br)c1C1C(=O)NC2(CCCCC2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
PDE7A Q13946 3/20 0.34
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALDH2 P05091 1/20 0.31
ALDH3A1 P30838 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL2889210 0.88 KMT2A (0.41) KMT2APDE7APOLBNPC1RAB9A
SCHEMBL5435809 0.85 BACE1 (0.32)
SCHEMBL3001186 0.83 KMT2A (0.36) KMT2APDE7AALDH1A1
SCHEMBL5107358 0.83 KMT2A (0.35) KMT2APDE7ANPC1RAB9A
SCHEMBL8652013 0.79 KMT2A (0.40) KMT2APDE7APOLBNPC1RAB9A
SCHEMBL5464784 0.79 ALDH1A1 (0.31) ALDH1A1ALDH2ALDH3A1
SCHEMBL3077698 0.79 THRB (0.37) KMT2APDE7AALDH1A1KDM4E
SCHEMBL5458693 0.78
SCHEMBL8645554 0.77 KMT2A (0.38) KMT2APDE7APOLBALDH1A1NPC1
SCHEMBL1475886 0.77 KMT2A (0.37) KMT2APDE7APOLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129252-A1 2-Halo-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-06-07 US disclosed
EP-1697321-A1 2-HALOGEN-6-ALKYL-PHENYL SUBSTITUTED SPIROCYCLIC TETRAMIC ACID DERIVATIVES Bayer CropScience AG (DE) 2006-09-06 EP disclosed
WO-2005044796-A1 2-HALOGEN-6-ALKYL-PHENYL SUBSTITUTED SPIROCYCLIC TETRAMIC ACID DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-05-19 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-20070129252-A1 2-Halo-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives TBCA, CA6, TRIP13 KMT2A 2816/4885PDE7A 2859/4885POLB 3701/4885

“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.