SCHEMBL1748457

SCHEMBL1748457

COc1ccccc1Oc1c(Cl)ncnc1Cl

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHPS P49366 14/20 0.50
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
NFE2L2 Q16236 1/20 0.47
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
PIN1 Q13526 1/20 0.42

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
Pyrimidine SCHEMBL628523 0.92 DHPS (0.45) DHPSALDH1A1MAPK1HTTL3MBTL1
SCHEMBL7297617 0.89 DHPS (0.58) DHPSALDH1A1MAPK1HTTL3MBTL1
SCHEMBL1748489 0.82 L3MBTL1 (0.46) ALDH1A1MAPK1HTTL3MBTL1MEN1
SCHEMBL7298131 0.82 TRPA1 (0.45) DHPSALDH1A1MAPK1NFE2L2MEN1
SCHEMBL7303200 0.82 NPBWR1 (0.48) DHPSALDH1A1NFE2L2MEN1KMT2A
SCHEMBL7204802 0.81 DHPS (0.57) DHPSALDH1A1MAPK1HTTL3MBTL1
SCHEMBL1748336 0.81 SMN1; SMN2 (0.48) ALDH1A1MAPK1HTTNFE2L2MEN1
SCHEMBL5632471 0.81 DHPS (0.57) DHPSALDH1A1MAPK1HTTL3MBTL1
SCHEMBL7299720 0.81 ALDH1A1 (0.46) ALDH1A1HTTL3MBTL1MEN1HPGD
SCHEMBL7293817 0.80 ACHE (0.53) DHPSALDH1A1MAPK1L3MBTL1MEN1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2072503-B1 Process for the preparation of bosentan DIPHARMA FRANCIS SRL (IT) 2011-10-26 EP disclosed
US-7968568-B2 [1-(4-chloro-3-ethoxy-benzyl)-piperidin-4-yl]-(2-chloro-pyrimidin-4-yl)-amine; somatostatin receptor subtype 5 (SSTR5) antagonists; diabetes mellitus HOFFMANN-LA ROCHE INC. (US) 2011-06-28 US disclosed
US-7968568-B2 [1-(4-chloro-3-ethoxy-benzyl)-piperidin-4-yl]-(2-chloro-pyrimidin-4-yl)-amine; somatostatin receptor subtype 5 (SSTR5) antagonists; diabetes mellitus HOFFMANN-LA ROCHE INC. (US) 2011-06-28 US disclosed
US-7968568-B2 [1-(4-chloro-3-ethoxy-benzyl)-piperidin-4-yl]-(2-chloro-pyrimidin-4-yl)-amine; somatostatin receptor subtype 5 (SSTR5) antagonists; diabetes mellitus HOFFMANN-LA ROCHE INC. (US) 2011-06-28 US disclosed
EP-2044054-B1 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed
US-20100069413-A1 Pyrimidine and Quinazoline Derivatives CHRIST ANDREAS D 2010-03-18 US disclosed
US-20100069413-A1 Pyrimidine and Quinazoline Derivatives CHRIST ANDREAS D 2010-03-18 US disclosed
US-20100069413-A1 Pyrimidine and Quinazoline Derivatives CHRIST ANDREAS D 2010-03-18 US disclosed
US-7674804-B2 Pyrimidine and quinazoline derivatives as SST5 modulators HOFFMANN-LA ROCHE INC. (US) 2010-03-09 US disclosed
US-7674804-B2 Pyrimidine and quinazoline derivatives as SST5 modulators HOFFMANN-LA ROCHE INC. (US) 2010-03-09 US disclosed
US-20030087920-A1 Butyne diol derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2003-05-08 US disclosed
EP-1244637-A1 BUTYNE DIOL DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2002-10-02 EP disclosed
WO-2002053557-A1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-07-11 WO disclosed
WO-2001081335-A1 PYRIMIDINE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed
EP-1137642-A1 BIS-SULFONAMIDES Actelion Pharmaceuticals Ltd. (CH) 2001-10-04 EP disclosed
WO-2001046156-A1 BUTYNE DIOL DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2001-06-28 WO disclosed
WO-2001017976-A1 BIS-SULFONAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2001-03-15 WO disclosed
EP-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP 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-20030087920-A1 Butyne diol derivatives BDKRB2, EDNRB, EDNRA DHPS 491/4885ALDH1A1 691/4885MAPK1 755/4885
US-20100069413-A1 Pyrimidine and Quinazoline Derivatives SSTR5, SSTR3, NPY5R DHPS 1434/4885ALDH1A1 2667/4885MAPK1 2025/4885

“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.