Sugi Predict

Sugi Predict / Compounds / SCHEMBL6098401

SCHEMBL6098401

SCHEMBL6098401

CC(=O)Nc1ccc(-c2c(C)nn(-c3ccc(CCO)cc3)c2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.48
▸ NR3C1 P04150 1/20 0.48
▸ HTT P42858 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ MAPT P10636 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TP53 P04637 2/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ FYN P06241 1/20 0.40

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
SCHEMBL6097358 0.88 CYP1A2 (0.50) CYP1A2HTTPOLBALDH1A1PTGS2
SCHEMBL6097782 0.83 CYP1A2 (0.47) CYP1A2NR3C1HTTALDH1A1PTGS2
SCHEMBL6097549 0.83 CYP1A2 (0.56) CYP1A2NR3C1HTTPOLBALDH1A1
SCHEMBL6096492 0.81 CYP1A2 (0.54) CYP1A2NR3C1PTGS2TP53SMN1; SMN2
SCHEMBL6096797 0.81 CYP1A2 (0.72) CYP1A2PTGS2TP53
SCHEMBL6098575 0.80 CYP1A2 (0.53) CYP1A2NR3C1POLBALDH1A1MAPT
SCHEMBL6099551 0.79 HTT (0.47) CYP1A2HTTPOLBALDH1A1MAPT
SCHEMBL6098897 0.79 CYP1A2 (0.52) CYP1A2POLBPTGS2MAPTKDM4E
SCHEMBL6095421 0.77 CYP1A2 (0.50) CYP1A2POLBALDH1A1MAPTKDM4E
SCHEMBL6629816 0.75 SMN1; SMN2 (0.57) CYP1A2HTTPOLBALDH1A1MAPT

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 CYP1A2 670/4885NR3C1 340/4885HTT 3844/4885

“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.