SCHEMBL6096779

SCHEMBL6096779

Cc1nn(-c2ccc(CO)cn2)c(C)c1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
VHL P40337 1/20 0.38
SMO Q99835 1/20 0.37
THRB P10828 1/20 0.37
TP53 P04637 1/20 0.37
FYN P06241 1/20 0.37
KDM4E B2RXH2 1/20 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
SCHEMBL6097884 0.85 CYP1A2 (0.43) NPC1RAB9ASMN1; SMN2CYP1A2MEN1
SCHEMBL6096848 0.84 KDM4E (0.42) NPC1RAB9ASMN1; SMN2CYP1A2MEN1
SCHEMBL6100490 0.81 NPC1 (0.39) NPC1RAB9ASMN1; SMN2CYP1A2MEN1
SCHEMBL6097690 0.76 MEN1 (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3683672 0.76 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2MAPTTHRB
SCHEMBL6100494 0.75 CHRNB2 (0.43) NPC1RAB9ASMN1; SMN2CYP1A2MEN1
SCHEMBL6098575 0.73 CYP1A2 (0.53) NPC1RAB9ASMN1; SMN2CYP1A2MAPT
SCHEMBL6172425 0.70 OXTR (0.39) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3689323 0.70 FFAR4 (0.45) NPC1RAB9ASMN1; SMN2MAPTTHRB
SCHEMBL31500060 0.70 SMN1; SMN2 (0.69) NPC1RAB9ASMN1; SMN2CYP1A2MEN1

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 3940/4885SMN1; 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.