Sugi Predict

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SCHEMBL6096858

SCHEMBL6096858

Cc1ccc(-c2c(C)nn(-c3ccc(CCN)cc3)c2C)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.64
▸ CYP2A6 P11509 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ RAB9A P51151 5/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TP53 P04637 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ AR P10275 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL6097821 0.89 CYP1A2 (0.81) CYP1A2TAAR1RAB9ASMN1; SMN2NPC1
SCHEMBL6095060 0.89 CYP1A2 (0.61) CYP1A2TAAR1MAPTMEN1KMT2A
SCHEMBL6096828 0.89 CYP1A2 (0.60) CYP1A2RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL6096823 0.86 CYP1A2 (0.56) CYP1A2RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL6097549 0.86 CYP1A2 (0.56) CYP1A2RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL6097347 0.85 CYP1A2 (0.63) CYP1A2CYP2A6TAAR1RAB9ASMN1; SMN2
SCHEMBL6096951 0.85 CYP1A2 (0.56) CYP1A2RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL6096794 0.85 CYP1A2 (0.56) CYP1A2SMN1; SMN2MAPTALDH1A1
SCHEMBL6095453 0.83 CYP1A2 (0.59) CYP1A2RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL6096532 0.81 SMN1; SMN2 (0.56) CYP1A2SMN1; SMN2TSHRCYP3A4ALDH1A1

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 670/4885CYP2A6 592/4885TAAR1 1649/4885

“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.