SCHEMBL6097668

SCHEMBL6097668

[CH2]Cc1ccc(-n2nc(C)c(Cc3ccccc3)c2C)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
AR P10275 6/20 0.54
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
P2RX7 Q99572 5/20 0.42

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
SCHEMBL6094798 0.83 NPC1 (0.69) NPC1RAB9AMEN1KMT2AAR
SCHEMBL6095958 0.82 RAB9A (0.48) NPC1RAB9AMEN1KMT2AAR
SCHEMBL4234704 0.81 AR (0.77) NPC1RAB9AMEN1KMT2AAR
SCHEMBL1064551 0.79 NPC1 (0.75) NPC1RAB9AMEN1KMT2AAR
SCHEMBL6097575 0.78 CYP1A2 (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6206806 0.78 RAB9A (0.46) NPC1RAB9AMEN1KMT2AAR
SCHEMBL13037374 0.77 NPC1 (0.71) NPC1RAB9AMEN1KMT2AAR
SCHEMBL28813340 0.74 NPC1 (0.64) NPC1RAB9AMEN1KMT2AAR
SCHEMBL6094692 0.74 KMT2A (0.56) NPC1RAB9AMEN1KMT2AAR
SCHEMBL6097009 0.74 CYP1A2 (0.40) NPC1RAB9AMEN1KMT2AAR

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 NPC1 2334/4885RAB9A 3940/4885MEN1 3821/4885

“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.