SCHEMBL7044261

SCHEMBL7044261

CCOc1cc(Cl)c(C=O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ERN1 O75460 2/20 0.42
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NQO1 P15559 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
POLB P06746 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL28468160 0.88 ERN1 (0.38) LMNAERN1ALDH1A1NQO1L3MBTL1
SCHEMBL24132612 0.81 ALDH1A1 (0.38) ERN1ALDH1A1MEN1KMT2ATDP1
SCHEMBL1251490 0.80 TSHR (0.33) LMNAERN1ALDH1A1MEN1KMT2A
SCHEMBL14352949 0.79 TDP1 (0.37) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL1250815 0.78 SMN1; SMN2 (0.45) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL2700873 0.78 LMNA (0.52) LMNAERN1ALDH1A1NQO1CHRM2
SCHEMBL953560 0.78 LMNA (0.43) LMNAERN1ALDH1A1TDP1NQO1
SCHEMBL5605139 0.77 SMN1; SMN2 (0.41) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL5605799 0.77 MEN1 (0.38) ALDH1A1MEN1KMT2ATDP1
SCHEMBL5605807 0.77 MEN1 (0.38) ALDH1A1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069246-A1 Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines NEUROGEN CORPORATION (US) 2003-04-10 US disclosed
EP-1218379-A2 CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO 1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO 1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2002-07-03 EP disclosed
US-6372743-B1 EATING DISORDERS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS NEUROGEN CORPORATION 2002-04-16 US disclosed
WO-2001023387-A2 CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO[1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO[1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2001-04-05 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-20030069246-A1 Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines NPY1R, NPY5R, NPY2R LMNA 2768/4885ERN1 2055/4885ALDH1A1 2283/4885

“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.