SCHEMBL13601826

SCHEMBL13601826

Cc1cc2ccccc2c(Br)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.45
CYP2A6 P11509 3/20 0.45
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 8/20 0.40
HSD17B10 Q99714 5/20 0.40
HPGD P15428 5/20 0.40
BACE1 P56817 1/20 0.40
POLB P06746 2/20 0.39
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
TSHR P16473 2/20 0.38
KDM4E B2RXH2 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL31141533 0.81 CYP1A2 (0.50) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL11185870 0.81 CYP1A2 (0.50) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL9424681 0.81 CYP1A2 (0.50) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL30800594 0.79 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL3669260 0.79 ALDH1A1 (0.43) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL4747937 0.79 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL5153021 0.79 CYP1A2 (0.48) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL5030388 0.79 ALDH1A1 (0.44) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL30534528 0.79 ALDH1A1 (0.44) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL10883903 0.79 CYP1A2 (0.48) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10

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-8658801-B2 Pesticides containing a bicyclic bisamide structure SYNGENTA CROP PROTECTION, LLC (US) 2014-02-25 US disclosed
US-20090298816-A1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE SYNGENTA CROP PROTECTION, INC. (US) 2009-12-03 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-20090298816-A1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE DDT, ACHE, GAP43 CYP1A2 27/4885CYP2A6 341/4885TDP1 367/4885

“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.