SCHEMBL13905693

SCHEMBL13905693

O=[N+]([O-])c1ccc(Cl)nc1NC1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
GSR P00390 2/20 0.44
TXNRD1 Q16881 2/20 0.44
HTT P42858 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 1/20 0.43
FGFR4 P22455 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CLK4 Q9HAZ1 1/20 0.39
CYP3A4 P08684 1/20 0.39
PRKCQ Q04759 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38

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
SCHEMBL5742514 0.90 MAPT (0.54) MAPTGSRTXNRD1HTTCYP1A2
SCHEMBL30461716 0.90 MAPT (0.54) MAPTGSRTXNRD1HTTCYP1A2
SCHEMBL22411263 0.87 GSR (0.53) MAPTGSRTXNRD1HTTCYP1A2
SCHEMBL29363127 0.87 GSR (0.53) MAPTGSRTXNRD1HTTCYP1A2
SCHEMBL16060682 0.87 MAPT (0.51) MAPTGSRTXNRD1HTTCYP1A2
SCHEMBL2195964 0.86 GSR (0.52) MAPTGSRTXNRD1HTTCYP1A2
SCHEMBL2195050 0.85 MAPT (0.49) MAPTGSRTXNRD1HTTFGFR4
SCHEMBL2196085 0.84 MAPT (0.51) MAPTGSRTXNRD1HTTFGFR4
SCHEMBL2196077 0.84 MAPT (0.51) MAPTGSRTXNRD1HTTFGFR4
SCHEMBL2195340 0.84 MAPT (0.48) MAPTGSRTXNRD1HTTCYP1A2

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-20240067645-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF LG CHEM, LTD. (KR) 2024-02-29 US disclosed
WO-2009029609-A1 IMIDAZOPYRIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-03-05 WO 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-20240067645-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF DGKA, DGKB, DGKK MAPT 4016/4885GSR 4548/4885TXNRD1 3337/4885

“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.