SCHEMBL5823972

SCHEMBL5823972

N#CC(NNc1ccccc1)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 12/20 0.56
RAPGEF4 Q8WZA2 7/20 0.56
GAA P10253 3/20 0.40
CYP3A4 P08684 1/20 0.39
ALOX5 P09917 1/20 0.39
TSHR P16473 1/20 0.39
PTGS2 P35354 1/20 0.38
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CTSD P07339 1/20 0.37
TDP1 Q9NUW8 1/20 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
SCHEMBL14153611 0.72 SLC1A2 (0.47) ALDH1A1
SCHEMBL18899276 0.71 ALDH1A1 (0.48) RAPGEF3RAPGEF4GAACYP3A4ALOX5
Hydrazobenzene SCHEMBL10946311 0.70 ALDH1A1 (0.67) GAACYP3A4ALOX5TSHRPTGS2
SCHEMBL13546618 0.67 ALDH1A1 (0.47) GAACYP3A4TSHRMAPTGFER
Phenicarbazide SCHEMBL250264 0.65 ALOX5 (0.61) GAACYP3A4ALOX5TSHRPTGS2
SCHEMBL22856571 0.65 ALOX5 (0.61) GAACYP3A4ALOX5TSHRPTGS2
SCHEMBL2927032 0.64 TSHR (0.48) ALOX5TSHRCYP2C19ALDH1A1CTSD
SCHEMBL2771881 0.64 TSHR (0.48) ALOX5TSHRCYP2C19ALDH1A1CTSD
SCHEMBL1339975 0.64 GAA (0.55) GAACYP3A4ALOX5TSHRPTGS2
SCHEMBL27848926 0.64 ALOX5 (0.55) GAACYP3A4ALOX5TSHRPTGS2

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-20060264439-A1 Inhibitors of polo-like kinase-1 SUPERGEN, INC. (US) 2006-11-23 US disclosed
WO-2006124996-A2 INHIBITORS OF POLO-LIKE KINASE-1 SUPERGEN, INC. (US) 2006-11-23 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-20060264439-A1 Inhibitors of polo-like kinase-1 PLK2, PHKG1, PRKDC RAPGEF3 1182/4885RAPGEF4 1622/4885GAA 2815/4885

“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.