SCHEMBL6176729

SCHEMBL6176729

[CH2]Cc1ccc(-n2nc(C)c(-c3ccccc3)c2CCCC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HSD11B1 P28845 2/20 0.42
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
DCTPP1 Q9H773 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALOX5 P09917 1/20 0.38
NR3C1 P04150 1/20 0.38
CYP1A2 P05177 1/20 0.38
PSMB5 P28074 1/20 0.38
POLB P06746 2/20 0.36
SOAT2 O75908 2/20 0.36
SOAT1 P35610 2/20 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
SCHEMBL6097675 0.87 HSD11B1 (0.44) NPC1RAB9ASMN1; SMN2HSD11B1MAPT
SCHEMBL6171466 0.81 HSD11B1 (0.42) NPC1RAB9ASMN1; SMN2HSD11B1DCTPP1
SCHEMBL6097575 0.80 CYP1A2 (0.56) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL31500053 0.80 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL23399845 0.75 CNR1 (0.40) NPC1RAB9ASMN1; SMN2HSD11B1MAPT
SCHEMBL6206806 0.75 RAB9A (0.46) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL23403272 0.74 CNR1 (0.47) NPC1RAB9ASMN1; SMN2HSD11B1MAPT
SCHEMBL6096840 0.74 CNR2 (0.48) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL23398432 0.71 POLB (0.49) NPC1RAB9ASMN1; SMN2CNR1CNR2
SCHEMBL23402214 0.70 ADORA3 (0.40) NPC1RAB9ASMN1; SMN2HSD11B1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPC1 2334/4885RAB9A 3940/4885SMN1; SMN2 4491/4885

“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.