SCHEMBL6097009

SCHEMBL6097009

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
TP53 P04637 1/20 0.38
AR P10275 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
PDE4D Q08499 2/20 0.35
KDM4E B2RXH2 2/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PAX8 Q06710 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL6095737 0.81 CYP1A2 (0.45) CYP1A2RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6096325 0.81 RAB9A (0.40) CYP1A2RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6094692 0.80 KMT2A (0.56) CYP1A2RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6095958 0.79 RAB9A (0.48) CYP1A2RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL14151614 0.77 SMN1; SMN2 (0.49) CYP1A2RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL19120569 0.77 CYP1A2 (0.50) CYP1A2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL17787695 0.77 SMN1; SMN2 (0.61) CYP1A2RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6206806 0.75 RAB9A (0.46) CYP1A2RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6097575 0.75 CYP1A2 (0.56) CYP1A2RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6095453 0.75 CYP1A2 (0.59) CYP1A2RAB9ANPC1ALDH1A1SMN1; SMN2

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 670/4885RAB9A 3940/4885NPC1 2334/4885

“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.