SCHEMBL3267347

SCHEMBL3267347

O=Cc1c(Br)ccc2cc(Cl)ccc12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 12/20 0.47
TDP1 Q9NUW8 1/20 0.37
CYP2A6 P11509 1/20 0.36
TYMS P04818 1/20 0.35
TSHR P16473 1/20 0.34
ALOX15 P16050 1/20 0.34
F11 P03951 1/20 0.33

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
SCHEMBL3269257 0.87 TDP1 (0.38) ERN1TDP1CYP2A6TYMSTSHR
SCHEMBL6820167 0.81 TDP1 (0.44) ERN1TDP1CYP2A6TYMSALOX15
SCHEMBL3268022 0.79 ERN1 (0.47) ERN1CYP2A6TYMS
SCHEMBL9446315 0.79 ERN1 (0.65) ERN1
SCHEMBL3268752 0.79 ERN1 (0.46) ERN1TDP1CYP2A6TYMSALOX15
SCHEMBL30856023 0.75 TDP1 (0.50) ERN1TDP1CYP2A6TYMSF11
SCHEMBL10488182 0.75 CYP2A6 (0.45) ERN1TDP1CYP2A6
SCHEMBL8153548 0.75 ERN1 (0.45) ERN1CYP2A6
SCHEMBL2786544 0.73 ERN1 (0.60) ERN1TDP1CYP2A6TSHR
SCHEMBL3268893 0.73 ERN1 (0.41) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180076395-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-15 US disclosed
EP-1914229-B1 NOVEL CERCOSPORAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-06-16 EP disclosed
US-20090036492-A1 Novel Cercosporamide Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-05 US disclosed
CN-101300244-A Novel cercosporamide derivative DAIICHI SANKYO CO LTD (JP) 2008-11-05 CN disclosed
EP-1914229-A1 NOVEL CERCOSPORAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-04-23 EP 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 (2 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-20090036492-A1 Novel Cercosporamide Derivative GPR119, CBR3, SLC5A2 ERN1 337/4885TDP1 4587/4885CYP2A6 572/4885
US-20180076395-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, PER2 ERN1 2978/4885TDP1 4181/4885CYP2A6 355/4885

“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.