SCHEMBL6467671

SCHEMBL6467671

Cc1cc(N/N=C(\C#N)C(N)=O)ccc1I

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.58
HTT P42858 6/20 0.58
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
GAA P10253 3/20 0.58
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 2/20 0.58
ALOX12 P18054 4/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
TDP1 Q9NUW8 3/20 0.42
MAPK1 P28482 3/20 0.42
GFER P55789 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 3/20 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
SCHEMBL6467676 1.00 MAPT (0.58) MAPTHTTMEN1KMT2AGAA
SCHEMBL6470640 0.84 MAPT (0.54) MAPTHTTMEN1KMT2AGAA
SCHEMBL20843975 0.84 MAPT (0.58) MAPTHTTMEN1KMT2AGAA
SCHEMBL6470635 0.84 MAPT (0.54) MAPTHTTMEN1KMT2AGAA
SCHEMBL6466546 0.76 MEN1 (0.56) MAPTHTTMEN1KMT2AGAA
SCHEMBL6466540 0.76 MEN1 (0.56) MAPTHTTMEN1KMT2AGAA
SCHEMBL6469662 0.73 MAPT (0.54) MAPTHTTMEN1KMT2AGAA
SCHEMBL6469661 0.73 MAPT (0.54) MAPTHTTMEN1KMT2AGAA
SCHEMBL9422023 0.70 MAPT (0.62) MAPTHTTMEN1KMT2AGAA
SCHEMBL9422030 0.70 MAPT (0.62) MAPTHTTMEN1KMT2AGAA

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 MAPT 1906/4885HTT 4097/4885MEN1 4599/4885

“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.