SCHEMBL6096463

SCHEMBL6096463

[CH2]Cc1ccc(-n2nc(C)cc2CCCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.39
PDPK1 O15530 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
RECQL P46063 1/20 0.35
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
SKP2 Q13309 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FCGR1A P12314 1/20 0.33
ALOX5 P09917 1/20 0.33
HSD11B1 P28845 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL6096569 0.84 MAPT (0.43) MAPTLMNATP53MEN1KMT2A
SCHEMBL6098572 0.78 CNR2 (0.44) MAPTLMNATP53MEN1KMT2A
SCHEMBL6206806 0.77 RAB9A (0.46) MAPTLMNATP53MEN1KMT2A
SCHEMBL28146104 0.71 MAPK1 (0.56) MAPTLMNANPC1RAB9ACYP1A2
SCHEMBL6096813 0.71 NPC1 (0.71) MAPTTP53NPC1RAB9ARECQL
SCHEMBL23401442 0.70 RAB9A (0.40) MAPTLMNATP53MEN1KMT2A
SCHEMBL6171466 0.70 HSD11B1 (0.42) NPC1RAB9ACYP1A2ALOX5HSD11B1
SCHEMBL6176729 0.70 NPC1 (0.44) MAPTTP53POLBNPC1RAB9A
SCHEMBL363054 0.69 CA2 (0.54) LMNATP53POLBSKP2
SCHEMBL16050054 0.69 MAPK1 (0.61) MAPTLMNANPC1RAB9ACYP1A2

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 3914/4885LMNA 4316/4885TP53 4554/4885

“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.