SCHEMBL6469734

SCHEMBL6469734

NC(=O)c1nn(-c2cc(Cl)ccc2F)c(C(=O)O)c1N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.39
HTT P42858 1/20 0.37
MARS1 P56192 2/20 0.37
GRM2 Q14416 1/20 0.35
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAP3K14 Q99558 2/20 0.34
KMT2A Q03164 2/20 0.34
RPA1 P27694 1/20 0.34
KCNMA1 Q12791 1/20 0.34
SCN9A Q15858 1/20 0.34
MYC P01106 1/20 0.33
MEN1 O00255 1/20 0.33
ATM Q13315 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
RIPK1 Q13546 1/20 0.33
SLC22A12 Q96S37 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
SCHEMBL6469895 0.83 ALDH1A1 (0.51) ALDH1A1HTTLMNAKDM4EKMT2A
Potassium SCHEMBL6498895 0.79 RIPK1 (0.45) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL6498887 0.79 RIPK1 (0.45) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL6470262 0.73 KMT2A (0.36) ALDH1A1GAAKDM4EKMT2ASCN9A
SCHEMBL6470420 0.71 KDM4E (0.36) ALDH1A1LMNAKDM4EKMT2AMYC
SCHEMBL6470586 0.71 RPA1 (0.39) ALDH1A1GAAKDM4EKMT2ARPA1
SCHEMBL14692467 0.69 PTPN1 (0.56) ALDH1A1HTTKDM4ESCN9AMYC
Potassium Ion SCHEMBL6498890 0.68 RIPK1 (0.42) ALDH1A1GAARIPK1
SCHEMBL6467428 0.66 ITK (0.47) ALDH1A1GAAGRM2KDM4EKMT2A
SCHEMBL6504869 0.64 ALDH1A1 (0.54) ALDH1A1GAAHTTKDM4ERIPK1

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 ALDH1A1 846/4885GAA 3532/4885HTT 4097/4885

“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.