Sugi Predict

Sugi Predict / Compounds / SCHEMBL589347

SCHEMBL589347

SCHEMBL589347

CCN(CCN(C)C)c1ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 5/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ THRB P10828 3/20 0.35
▸ RXRA P19793 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ THRA P10827 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL28999505 0.90 ALDH1A1 (0.46) HCAR3KDM4EMAPTALDH1A1CYP3A4
SCHEMBL591489 0.87 KDM4E (0.37) HCAR3KDM4EGAAMAPTALDH1A1
SCHEMBL27763642 0.83 HCAR3 (0.47) HCAR3KDM4EGAAMAPTALDH1A1
SCHEMBL591781 0.83 MAPT (0.38) HCAR3KDM4EGAAMAPTALDH1A1
Hydrochloric Acid SCHEMBL591409 0.82 HCAR3 (0.46) HCAR3KDM4EGAAMAPTALDH1A1
SCHEMBL1374342 0.82 MAPT (0.50) HCAR3MAPTMAPK1NPSR1LMNA
SCHEMBL28144494 0.78 MAPT (0.34) HCAR3KDM4EGAAMAPTALDH1A1
SCHEMBL591158 0.77 CHRNB2 (0.49) KDM4EGAAMAPTALDH1A1THRB
SCHEMBL590882 0.77 MET (0.34) HCAR3KDM4EMAPTALDH1A1MAPK1
SCHEMBL18918325 0.77 SMN1; SMN2 (0.43) KDM4EGAAMAPTALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120932-B1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2014-07-09 — — EP disclosed
US-8114865-B2 Indazole derivatives as kinase inhibitors for the treatment of cancer NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-14 — — US disclosed
US-20100197665-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-08-05 — — US disclosed
EP-2120932-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Nerviano Medical Sciences S.r.l. (IT) 2009-11-25 — — EP disclosed
WO-2008074749-A9 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2009-05-07 — — WO disclosed
WO-2008074749-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-06-26 — — 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-20100197665-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER MAP3K5, MAP3K19, MAP3K3 HCAR3 3668/4885KDM4E 832/4885GAA 1667/4885

“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.