SCHEMBL6095984

SCHEMBL6095984

[CH2]Cc1ccc(-n2nc(C)c(-c3cccc(OC)c3)c2C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CRHR1 P34998 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMO Q99835 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CACNA2D1 P54289 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
TP53 P04637 1/20 0.40
RORC P51449 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
SCHEMBL6097998 0.86 CYP1A2 (0.51) CYP1A2MAPTRAB9ANPSR1KDM4E
SCHEMBL6098356 0.86 CYP1A2 (0.54) CYP1A2LMNARAB9AKDM4ESMO
SCHEMBL6098463 0.84 CYP1A2 (0.58) CYP1A2MAPTRAB9ANPSR1KDM4E
SCHEMBL6096209 0.84 CYP1A2 (0.49) CYP1A2LMNAMAPTRAB9ANPSR1
SCHEMBL6097575 0.83 CYP1A2 (0.56) CYP1A2LMNAMAPTRAB9ANPSR1
SCHEMBL6097890 0.83 SMN1; SMN2 (0.55) CYP1A2LMNAMAPTCRHR1KDM4E
SCHEMBL6097500 0.81 CYP1A2 (0.49) CYP1A2LMNAMAPTRAB9ANPSR1
SCHEMBL6099399 0.81 CYP1A2 (0.49) CYP1A2LMNAMAPTNPSR1ALDH1A1
SCHEMBL21208579 0.78 SMN1; SMN2 (0.57) LMNAMAPTRAB9ANPSR1KDM4E
SCHEMBL6095453 0.78 CYP1A2 (0.59) CYP1A2LMNAMAPTRAB9ATSHR

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 claimed
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 claimed
US-7001917-B2 Pyrazole compounds as anti-inflammatory and analgesic agents WARNER LAMBERT COMPANY LLC (US) 2006-02-21 US 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

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 670/4885LMNA 4316/4885MAPT 3914/4885

“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.