SCHEMBL3603131

SCHEMBL3603131

CCOC(=O)Cc1ccc(Nc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
HTT P42858 2/20 0.55
HPGD P15428 2/20 0.51
NPC1 O15118 1/20 0.51
HSP90AA1 P07900 1/20 0.51
PKM P14618 1/20 0.51
CCR6 P51684 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
LMNA P02545 2/20 0.46
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GLO1 Q04760 1/20 0.44

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
SCHEMBL397590 0.91 MEN1 (0.55) MEN1KMT2AHTTHPGDNPC1
SCHEMBL25361611 0.85 ALDH1A1 (0.53) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL10091846 0.83 CYP1A2 (0.66) MEN1KMT2AHTTNPC1ALDH1A1
SCHEMBL492505 0.83 CYP1A2 (0.64) MEN1KMT2AHTTHPGDNPC1
SCHEMBL396173 0.81 KMT2A (0.52) MEN1KMT2AHTTHPGDNPC1
SCHEMBL3576243 0.81 MEN1 (0.56) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL396228 0.81 KMT2A (0.48) MEN1KMT2AHTTHPGDNPC1
SCHEMBL10348330 0.79 CYP1A2 (0.74) MEN1KMT2AHTTNPC1LMNA
SCHEMBL397495 0.78 KMT2A (0.49) MEN1KMT2AHTTHPGDNPC1
SCHEMBL13400411 0.77 TSHR (0.49) KMT2ANPC1LMNAALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168182-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-07-01 US disclosed
US-20100168182-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-07-01 US disclosed
US-20100168182-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-07-01 US disclosed
EP-2102190-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-09-23 EP disclosed
CN-101541788-A Compounds and compositions as kinase inhibitors IRM LLC (VG) 2009-09-23 CN disclosed
WO-2008073480-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2008-06-19 WO disclosed
WO-2008073480-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2008-06-19 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-20100168182-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS NTRK2, PDGFRB, PDGFRA MEN1 4107/4885KMT2A 2342/4885HTT 1001/4885

“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.