SCHEMBL20175211

SCHEMBL20175211

Clc1ccc(-c2csc3ccccc23)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.41
APP P05067 2/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ERN1 O75460 2/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAOB P27338 2/20 0.36
PDPK1 O15530 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL13319555 0.81 ERN1 (0.42) CYP2A6APPCYP2C9ERN1MAPT
SCHEMBL20174709 0.79 CYP2A6 (0.42) CYP2A6APPCYP2C9ERN1MAPT
SCHEMBL4381193 0.76 CYP2A6 (0.54) CYP2A6APPCYP2C9ERN1MAPT
SCHEMBL10015032 0.75 S100A4 (0.38) CYP2A6KDM4EMAPT
SCHEMBL20599056 0.74 S100A4 (0.46) CYP2A6LMNATP53
SCHEMBL9565764 0.74 ERN1 (0.49) CYP2A6ERN1MAPTCHRM2CHRM4
SCHEMBL20175214 0.74 PDK2 (0.41) CYP2A6APPCYP2C9ERN1MAPT
SCHEMBL18731804 0.74 ALOX5 (0.47) KDM4EMAPTTP53MAOB
SCHEMBL18034336 0.74 KDM4E (0.45) KDM4EMAPTMAOB
SCHEMBL17068901 0.73 S100A4 (0.47) CYP2A6MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, NR2E3, ALDH1A2 CYP2A6 265/4885APP 2250/4885CYP2C9 309/4885

“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.