SCHEMBL4401042

SCHEMBL4401042

COc1cc(Cl)cc(Cl)c1N

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ACLY P53396 1/20 0.40
ERN1 O75460 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
EP300 Q09472 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HSP90AA1 P07900 3/20 0.37
HSP90AB1 P08238 3/20 0.37
DYRK1A Q13627 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 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
SCHEMBL8709585 0.88 GAA (0.48) GAANPC1MAPTNPSR1ERN1
SCHEMBL11527141 0.82 GAA (0.48) GAANPC1MAPTNPSR1ACLY
SCHEMBL11519952 0.82 CYP3A4 (0.56) GAANPC1MAPTNPSR1ALDH1A1
SCHEMBL16198301 0.82 GAA (0.48) GAANPC1MAPTNPSR1ERN1
SCHEMBL1426410 0.80 TUBB4A (0.47) GAANPC1MAPTNPSR1ALDH1A1
SCHEMBL2084949 0.80 MAP3K14 (0.44) GAANPC1MAPTNPSR1ERN1
SCHEMBL16047636 0.78 MAPT (0.53) GAANPC1MAPTNPSR1ERN1
SCHEMBL31506852 0.78 MAPT (0.48) GAANPC1MAPTNPSR1ERN1
SCHEMBL1854071 0.78 GAA (0.41) GAANPC1MAPTNPSR1ERN1
SCHEMBL30254383 0.78 MAPT (0.53) GAANPC1MAPTNPSR1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300401-B1 THIAZOLE DERIVATIVES FOR USE AS ANTIINFLAMMATORIES DAINIPPON SUMITOMO PHARMA CO (JP) 2009-12-09 EP disclosed
US-7396842-B2 Five-membered cyclic compounds DIANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-08 US disclosed
EP-1669070-A2 2-imino-thiazolidine and -oxazolidine derivatives for use as antiinflammatory agents Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-06-14 EP disclosed
US-20050222226-A1 Five-membered cyclic compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED 2005-10-06 US disclosed
US-6919361-B2 Five-membered-ring compound SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-07-19 US disclosed
US-20040072827-A1 Five-membered-ring compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2004-04-15 US disclosed
EP-1300401-A1 FIVE-MEMBERED-RING COMPOUND SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-04-09 EP disclosed
EP-0477819-B1 Benzimidazole derivatives, their preparation and use NEUROSEARCH AS (DK) 1995-03-15 EP disclosed
US-5200422-A Benzimidazole derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-04-06 US disclosed
EP-0477819-A2 Benzimidazole derivatives, their preparation and use NEUROSEARCH A/S (DK) 1992-04-01 EP disclosed
US-3939176-A 1-PHENYL-3-PHENYLUREIDO-PYRAZOLONES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1976-02-17 US 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-20040072827-A1 Five-membered-ring compound EPX, IL5, CCR9 GAA 4650/4885NPC1 4342/4885MAPT 4768/4885
US-20050222226-A1 Five-membered cyclic compounds EPX, CCL11, CCR9 GAA 4668/4885NPC1 4372/4885MAPT 4705/4885

“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.