Sugi Predict

Sugi Predict / Compounds / SCHEMBL9985176

SCHEMBL9985176

SCHEMBL9985176

CCC(Nc1ccc([N+](=O)[O-])c(Nc2ccc(SC)cc2)n1)n1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 1/20 0.43
▸ BRD4 O60885 6/20 0.42
▸ HSF1 Q00613 1/20 0.37
▸ GSK3B P49841 2/20 0.35
▸ CYP26A1 O43174 2/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ NTRK1 P04629 1/20 0.32
▸ EGFR P00533 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL9984879 0.90 BRD4 (0.45) BRD4HSF1CYP26A1MAPTCYP19A1
SCHEMBL9984119 0.89 BRD4 (0.44) BRD4HSF1CYP26A1MAPTCYP19A1
SCHEMBL9984994 0.89 BRD4 (0.43) CYP17A1BRD4HSF1CYP26A1MAPT
SCHEMBL9983283 0.87 GAA (0.43) BRD4CYP26A1ABCG2MAPTCYP19A1
SCHEMBL9985029 0.87 BRD4 (0.42) CYP17A1BRD4HSF1GSK3BCYP26A1
SCHEMBL9985113 0.87 EGFR (0.43) BRD4HSF1CYP26A1MAPTCYP19A1
SCHEMBL9984024 0.86 BRD4 (0.41) BRD4HSF1CYP26A1ABCG2MAPT
SCHEMBL9986949 0.85 BRD4 (0.37) CYP17A1BRD4HSF1MAPTCYP19A1
SCHEMBL9984037 0.85 BRD4 (0.41) CYP17A1BRD4HSF1CYP26A1MAPT
SCHEMBL9984735 0.83 BRD4 (0.45) BRD4HSF1CYP26A1ABCG2MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 — — US claimed
EP-2394993-A2 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Dong Wha Pharm. Co., Ltd. (KR) 2011-12-14 — — EP claimed
US-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 — — US disclosed
EP-2394993-A2 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Dong Wha Pharm. Co., Ltd. (KR) 2011-12-14 — — EP 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-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME NOS3, PTMS, NOS2 CYP17A1 3297/4885BRD4 1137/4885HSF1 4685/4885

“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.