SCHEMBL6712952

SCHEMBL6712952

Clc1ccc(Cc2c(Cl)nc3ncnn3c2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 5/20 0.57
MBOAT4 Q96T53 8/20 0.56
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.40
PDE2A O00408 1/20 0.39

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
SCHEMBL24129144 0.85 MBOAT4 (0.51) ENPP1MBOAT4ALDH1A1
SCHEMBL2462145 0.83 ENPP1 (0.61) ENPP1MBOAT4ALDH1A1GAAPOLB
SCHEMBL24127885 0.75 ENPP1 (0.59) ENPP1MBOAT4ALDH1A1LMNAGAA
SCHEMBL22968380 0.74 MBOAT4 (0.71) ENPP1MBOAT4
SCHEMBL2582203 0.74 ENPP1 (0.51) ENPP1MBOAT4ALDH1A1GAAL3MBTL1
SCHEMBL24127923 0.73 ENPP1 (0.57) ENPP1MBOAT4ALDH1A1LMNAGAA
SCHEMBL24129256 0.73 MBOAT4 (0.50) ENPP1MBOAT4ALDH1A1POLBTSHR
SCHEMBL5324250 0.73 MBOAT4 (0.40) ENPP1MBOAT4ALDH1A1LMNAGAA
SCHEMBL22968411 0.72 MBOAT4 (1.00) MBOAT4
SCHEMBL5226752 0.72 MBOAT4 (0.67) ENPP1MBOAT4ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063729-A1 Microbiocides BAYER CROPSCIENCE K. K. (JP) 2004-04-01 US disclosed
EP-1345940-A2 TRIAZOLOPYRIMIDINES Bayer CropScience K.K. (JP) 2003-09-24 EP disclosed
WO-2002051845-A2 TRIAZOLOPYRIMIDINES BAYER CROPSCIENCE K.K. (DE) 2002-07-04 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-20040063729-A1 Microbiocides FPR1, MPO, FPR2 ENPP1 929/4885MBOAT4 2808/4885ALDH1A1 663/4885

“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.