SCHEMBL6095958

SCHEMBL6095958

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
AR P10275 4/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.40
SMO Q99835 2/20 0.39
PDE4D Q08499 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
P2RX7 Q99572 2/20 0.37

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
SCHEMBL6206806 0.86 RAB9A (0.46) RAB9ANPC1ARMEN1KMT2A
SCHEMBL6097668 0.82 NPC1 (0.68) RAB9ANPC1ARMEN1KMT2A
SCHEMBL6096155 0.81 NPC1 (0.49) RAB9ANPC1ARMEN1KMT2A
SCHEMBL24185332 0.80 MEN1 (0.47) RAB9ANPC1ARMEN1KMT2A
SCHEMBL12770985 0.80 CYP1A2 (0.48) RAB9ANPC1ARMEN1KMT2A
SCHEMBL12770960 0.80 MEN1 (0.68) RAB9ANPC1MEN1KMT2ASMO
SCHEMBL6097009 0.79 CYP1A2 (0.40) RAB9ANPC1ARMEN1KMT2A
SCHEMBL6094692 0.79 KMT2A (0.56) RAB9ANPC1ARMEN1KMT2A
SCHEMBL25890437 0.77 MEN1 (0.45) RAB9ANPC1ARMEN1KMT2A
SCHEMBL25890691 0.75 MEN1 (0.43) RAB9ANPC1ARMEN1KMT2A

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 2 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
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 RAB9A 3940/4885NPC1 2334/4885AR 110/4885

“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.