SCHEMBL6096249

SCHEMBL6096249

Cc1cc(C)n(-c2ccc(CCCl)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
L3MBTL1 Q9Y468 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.46
TP53 P04637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
TERT O14746 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL6098368 0.85 MAPT (0.50) MAPTL3MBTL1TDP1ALDH1A1HPGD
SCHEMBL6098089 0.85 MAPT (0.50) MAPTL3MBTL1TDP1ALDH1A1HPGD
SCHEMBL29120365 0.83 MAPT (0.67) MAPTL3MBTL1TDP1ALDH1A1HPGD
SCHEMBL10140275 0.82 POLB (0.56) MAPTL3MBTL1TDP1ALDH1A1HPGD
SCHEMBL2288170 0.81 MAPT (0.53) MAPTL3MBTL1TDP1ALDH1A1HPGD
SCHEMBL12770967 0.78 POLB (0.64) MAPTL3MBTL1ALDH1A1HPGDTP53
SCHEMBL10169870 0.77 MAPT (0.61) MAPTL3MBTL1TDP1ALDH1A1HPGD
SCHEMBL29280344 0.76 MAPT (0.59) MAPTL3MBTL1TDP1ALDH1A1HPGD
SCHEMBL27582575 0.76 KLKB1 (0.57) MAPTL3MBTL1TDP1ALDH1A1HPGD
SCHEMBL5717760 0.74 MAPT (0.52) MAPTL3MBTL1TDP1ALDH1A1HPGD

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-7001917-B2 Pyrazole compounds as anti-inflammatory and analgesic agents WARNER LAMBERT COMPANY LLC (US) 2006-02-21 US disclosed
EP-1495005-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS Pfizer Japan Inc. (JP) 2005-01-12 EP disclosed
US-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents HIRANO MISATO (JP) 2004-01-29 US disclosed
WO-2003087061-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER JAPAN INC. (JP) 2003-10-23 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-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents PTGER1, PTGS1, PTGIR MAPT 3914/4885L3MBTL1 4787/4885TDP1 4607/4885

“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.