SCHEMBL3410050

SCHEMBL3410050

Clc1cccc(Cc2ccnc(Cl)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
DAO P14920 1/20 0.42
MPO P05164 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
BACE1 P56817 1/20 0.41
YTHDF3 Q7Z739 1/20 0.40
YTHDC1 Q96MU7 1/20 0.40
YTHDF1 Q9BYJ9 1/20 0.40
YTHDF2 Q9Y5A9 1/20 0.40
KDM4A O75164 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
IDO1 P14902 1/20 0.40
AGXT P21549 1/20 0.40

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
SCHEMBL7669156 0.84 YTHDC1 (0.41) HCAR2TAAR1YTHDC1CYP11B1CYP11B2
SCHEMBL265376 0.82 ALDH1A1 (0.47) HTR2BTAAR1KDM4CKDM5BCYP3A4
SCHEMBL7671410 0.80 DHFR (0.48) TAAR1YTHDC1KDM4CKDM5BIDO1
SCHEMBL7675938 0.80 HRH3 (0.48) MPOYTHDC1CYP3A4CYP11B1CYP11B2
SCHEMBL3407806 0.79 PNMT (0.46) PNMTDAOMPOTAAR1YTHDF3
SCHEMBL7672855 0.77 MPO (0.46) DAOMPOKDM4CKDM5B
SCHEMBL10730675 0.76 L3MBTL1 (0.50) PNMTTAAR1BACE1CYP3A4
SCHEMBL29442873 0.76 L3MBTL1 (0.50) PNMTTAAR1BACE1CYP3A4
SCHEMBL7669325 0.75 LOXL2 (0.51) MPOYTHDC1KDM4CKDM5B
SCHEMBL11375758 0.75 BACE1 (0.47) PNMTMPOTAAR1BACE1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
CN-101952275-A Modulators for amyloid beta HOFFMANN LA ROCHE 2011-01-19 CN disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 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 (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-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB PNMT 199/4885HTR2C 1329/4885HTR2B 177/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB PNMT 212/4885HTR2C 1269/4885HTR2B 178/4885

“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.