SCHEMBL359308

SCHEMBL359308

Cn1cc(-n2ccc(=O)c(COc3ccc([N+](=O)[O-])cc3)n2)cn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.39
MAOB P27338 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
IDO1 P14902 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PLA2G4B P0C869 1/20 0.36

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
SCHEMBL14930551 0.86 ALDH1A1 (0.38) HTTLMNAHRH3RAB9ANPC1
SCHEMBL359456 0.85 FGFR1 (0.36) MAPTMAOBRAB9ANPC1PKM
SCHEMBL360085 0.81 PARP10 (0.43) MAOB
SCHEMBL360971 0.80 TBXAS1 (0.41) HTTMAPTRAB9ASMN1; SMN2
SCHEMBL12503425 0.80 MEN1 (0.40) HTTMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL360220 0.79 TBXAS1 (0.41) HTTHRH3CA12CA1CA2
SCHEMBL360624 0.78 IRAK4 (0.37) RAB9ANPC1PKM
SCHEMBL359734 0.77 IRAK1 (0.38) HTTSMN1; SMN2
SCHEMBL14926941 0.77 MAPT (0.42) MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL13275592 0.76 CYP19A1 (0.42) HTTSMN1; SMN2NPSR1

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
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP claimed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US claimed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO claimed
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET HTT 1879/4885LMNA 4482/4885MAPT 2891/4885

“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.