SCHEMBL6466546

SCHEMBL6466546

Cc1cc(I)ccc1NN=C(C#N)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
HSP90AA1 P07900 1/20 0.56
MAPT P10636 9/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 4/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAP2K1 Q02750 3/20 0.39
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
GFER P55789 1/20 0.36
PTK2B Q14289 1/20 0.36

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
SCHEMBL6466540 1.00 MEN1 (0.56) MEN1KMT2AALDH1A1HPGDHSP90AA1
SCHEMBL6467565 0.84 MAPT (0.48) MEN1KMT2AALDH1A1HPGDHSP90AA1
SCHEMBL6466354 0.84 MAPT (0.45) MEN1KMT2AALDH1A1HPGDHSP90AA1
SCHEMBL6467571 0.84 MAPT (0.48) MEN1KMT2AALDH1A1HPGDHSP90AA1
SCHEMBL6466358 0.84 MAPT (0.45) MEN1KMT2AALDH1A1HPGDHSP90AA1
SCHEMBL6467671 0.76 MAPT (0.58) MEN1KMT2AALDH1A1HPGDHSP90AA1
SCHEMBL6467676 0.76 MAPT (0.58) MEN1KMT2AALDH1A1HPGDHSP90AA1
SCHEMBL4606741 0.74 IDO1 (0.44) MEN1KMT2AALDH1A1HPGDHSP90AA1
SCHEMBL4607691 0.74 IDO1 (0.41) MEN1KMT2AALDH1A1HPGDHSP90AA1
SCHEMBL6501300 0.71 MAPT (0.49) MEN1KMT2AALDH1A1HPGDHSP90AA1

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 MEN1 4599/4885KMT2A 3219/4885ALDH1A1 846/4885

“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.