SCHEMBL13601825

SCHEMBL13601825

Nc1c(I)cc2ccccc2c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 5/20 0.37
HIF1A Q16665 2/20 0.37
CYP1B1 Q16678 1/20 0.37
NQO2 P16083 2/20 0.36
HTR2A P28223 1/20 0.36
HPGD P15428 3/20 0.35
TSHR P16473 3/20 0.35
CYP3A4 P08684 1/20 0.35
KEAP1 Q14145 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2C Q14957 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GLA P06280 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL5030388 0.79 ALDH1A1 (0.44) POLBALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL3669260 0.79 ALDH1A1 (0.43) POLBALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL30534528 0.79 ALDH1A1 (0.44) POLBALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL28718547 0.76 POLB (0.48) POLBALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL5575751 0.76 CYP1A2 (0.41) POLBALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL19063378 0.76 ALDH1A1 (0.41) POLBALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL24703324 0.76 CYP2A6 (0.40) POLBALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL13601826 0.76 CYP1A2 (0.45) POLBALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL3721788 0.74 KDM4E (0.45) POLBKDM4EMAOAMAPTRAD52
SCHEMBL29527767 0.73 POLB (0.52) POLBALDH1A1HSD17B10HIF1ACYP1B1

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
CN-118373822-B Material containing benzopyrrole acridine structure and application thereof 烟台九目化学股份有限公司 2024-08-27 CN disclosed
CN-118373822-A Material containing benzopyrrole acridine structure and application thereof 烟台九目化学股份有限公司 2024-07-23 CN disclosed
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 POLB 3624/4885ALDH1A1 729/4885HSD17B10 2223/4885

“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.