SCHEMBL19797899

SCHEMBL19797899

Cc1cccnc1N=[N+]=[N-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.52
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
PDE4A P27815 2/20 0.36
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 1/20 0.35
CYP2A6 P11509 1/20 0.35
FDPS P14324 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
HSP90AA1 P07900 1/20 0.33
ADORA2A P29274 1/20 0.33
PKM P14618 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
METAP2 P50579 1/20 0.33
LMNA P02545 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL29691070 1.00 PLAU (0.52) PLAUNOS3NOS1NOS2PDE4A
SCHEMBL20162915 0.80 PLAU (0.35) PLAUPDE4ANPC1KDM4ERAB9A
SCHEMBL1851255 0.76 PLAU (0.61) PLAUNOS3NOS1NOS2NPC1
SCHEMBL30785106 0.76 HSD17B10 (0.41) PLAUPDE4ANPC1KDM4ERAB9A
SCHEMBL27934653 0.76 KDM4E (0.33) PLAUPDE4AKDM4EL3MBTL1MAPT
SCHEMBL292776 0.74
SCHEMBL18397659 0.73 CYP51A1 (0.31)
SCHEMBL10971356 0.72
SCHEMBL6404182 0.72
SCHEMBL31010428 0.72 PDE4A (0.33) PLAUNOS3NOS1NOS2PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105385439-B Detect response type rhodamine fluorescence probe and its preparation and application of mercury ion 东华大学 2017-12-26 CN claimed
CN-105385439-A Reaction type Rhodamine-class fluorescence probe for mercury ion detection and preparation as well as application thereof NAT UNIV DONG HWA 2016-03-09 CN claimed
CN-108383888-A One kind is for detecting biological cell Hg2+Fluorescence probe and its synthetic method 福建师范大学泉港石化研究院 2018-08-10 CN disclosed
US-20180020664-A1 SUBSTITUTED PYRIMIDINYLOXY PYRIDINE DERIVATIVES AS HERBICIDES FMC CORPORATION 2018-01-25 US disclosed
CN-105385439-B Detect response type rhodamine fluorescence probe and its preparation and application of mercury ion 东华大学 2017-12-26 CN disclosed
CN-103502218-B Compounds and methods for for conjugating biomolecules 生命科技公司 2016-08-17 CN disclosed
CN-105385439-A Reaction type Rhodamine-class fluorescence probe for mercury ion detection and preparation as well as application thereof NAT UNIV DONG HWA 2016-03-09 CN disclosed
CN-102105471-B Novel compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS N.V. (BE) 2014-10-15 CN disclosed
CN-103502218-A Compounds and methods for conjugation of biomolecules LIFE TECHNOLOGIES CORP 2014-01-08 CN disclosed
CN-102105471-A Novel compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV 2011-06-22 CN 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-20180020664-A1 SUBSTITUTED PYRIMIDINYLOXY PYRIDINE DERIVATIVES AS HERBICIDES DDT, CNPY2, NOX4 PLAU 4837/4885NOS3 198/4885NOS1 324/4885

“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.