SCHEMBL6470372

SCHEMBL6470372

Cc1cc(-n2cc(NC(=O)Oc3ccc([N+](=O)[O-])cc3)c(C(N)=O)n2)ccc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
MAPT P10636 2/20 0.41
ATM Q13315 1/20 0.39
PPARG P37231 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.36
ITK Q08881 1/20 0.36
MGLL Q99685 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
AURKA O14965 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL6467605 0.79 ITK (0.44) GAAITKNPC1MEN1KMT2A
SCHEMBL6465951 0.72 MEN1 (0.39) GAAMAPTITKNPC1RAB9A
SCHEMBL3450447 0.69 GAA (0.49) GAAMAPTATMMGLLNPC1
SCHEMBL30475423 0.68 GAA (0.58) GAAMAPTATMMGLLNPC1
SCHEMBL30475420 0.68 GAA (0.58) GAAMAPTATMMGLLNPC1
SCHEMBL6502246 0.67 ITK (0.44) GAAITKNPC1ALDH1A1LMNA
SCHEMBL6470449 0.67 ITK (0.42) GAAMAPTITKNPC1RAB9A
SCHEMBL6506313 0.67 ITK (0.44) GAAMAPTITKNPC1RAB9A
SCHEMBL28711989 0.66 MAPT (0.46) MAPTABCG2NPC1RAB9AMEN1
SCHEMBL25854658 0.66 GAA (0.55) GAAMAPTATMMGLLNPC1

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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US disclosed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 GAA 3532/4885MAPT 1906/4885ATM 1321/4885

“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.