SCHEMBL6096569

SCHEMBL6096569

CCCCc1cc(C)nn1-c1ccc(CCO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
COMT P21964 1/20 0.40
POLB P06746 2/20 0.39
PTGS2 P35354 3/20 0.38
PDPK1 O15530 2/20 0.37
TDP1 Q9NUW8 1/20 0.35
HSD11B1 P28845 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
MAPK1 P28482 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL6096463 0.84 MAPT (0.41) MAPTTP53LMNAMEN1KMT2A
SCHEMBL6098089 0.80 MAPT (0.50) MAPTTP53MEN1KMT2APOLB
SCHEMBL6096845 0.79 MAPT (0.46) MAPTTP53LMNAMEN1KMT2A
SCHEMBL6094963 0.77 NPC1 (0.48) MAPTLMNAMEN1KMT2APOLB
SCHEMBL23116904 0.77 MAPT (0.41) MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL23116817 0.74 MAPT (0.51) MAPTMEN1KMT2ATDP1CYP4F2
SCHEMBL23116934 0.74 MAPT (0.46) MAPTKMT2AMAPK1RAB9ANPC1
SCHEMBL30405164 0.74 FCGR1A (0.43) MAPTLMNATDP1MAPK1RAB9A
SCHEMBL6110847 0.73 NPC1 (0.47) MAPTTP53LMNAMEN1KMT2A
SCHEMBL6096458 0.73 NPC1 (0.68) MAPTTP53PTGS2CA1CA2

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 3914/4885TP53 4554/4885LMNA 4316/4885

“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.