SCHEMBL25501415

SCHEMBL25501415

Clc1ccc(-c2cc(Cl)ccc2Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.45
S100A4 P26447 2/20 0.44
ANO1 Q5XXA6 1/20 0.40
CYP1A2 P05177 1/20 0.39
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
LMNA P02545 1/20 0.38
CYP2A6 P11509 1/20 0.38
GCGR P47871 2/20 0.37
MAPK14 Q16539 2/20 0.37
ALOX5 P09917 1/20 0.37
NOTUM Q6P988 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
PPOX P50336 1/20 0.35
TDO2 P48775 1/20 0.35

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
SCHEMBL29670074 0.91 GCGR (0.41) AHRS100A4ANO1GCGRMAPK14
SCHEMBL25858359 0.87 CYP1A2 (0.54) S100A4CYP1A2LMNACYP2A6ALDH1A1
SCHEMBL26179585 0.87 NPC1 (0.42) S100A4ANO1PTGS2PTGS1GCGR
SCHEMBL29763127 0.86 ALDH1A1 (0.54) S100A4CYP1A2LMNACYP2A6ALDH1A1
SCHEMBL8638226 0.86 ALDH1A1 (0.54) S100A4CYP1A2LMNACYP2A6ALDH1A1
SCHEMBL14907135 0.85 AHR (0.48) AHRCYP1A2PTGS2PTGS1LMNA
SCHEMBL20598903 0.85 S100A4 (0.52) AHRS100A4LMNACYP2A6ALDH1A1
SCHEMBL24810004 0.83 GCGR (0.47) LMNAGCGRMAPK14MAPK1
SCHEMBL30223151 0.81 CYP1A2 (0.58) CYP1A2PTGS2PTGS1LMNAGCGR
SCHEMBL30223419 0.81 CYP1A2 (0.58) CYP1A2PTGS2PTGS1LMNAGCGR

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-11655206-B2 Nitrogen-containing compound, electronic element, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-05-23 US disclosed
US-11655206-B2 Nitrogen-containing compound, electronic element, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-05-23 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-11655206-B2 Nitrogen-containing compound, electronic element, and electronic device MNS1, NOS1, NPM1 AHR 2826/4885S100A4 107/4885ANO1 1415/4885

“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.