SCHEMBL535589

SCHEMBL535589

Cc1cccnc1-n1[c]cc(Br)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD11B1 P28845 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TRPV1 Q8NER1 2/20 0.31
HTR7 P34969 1/20 0.31
FDPS P14324 1/20 0.31
MYC P01106 1/20 0.30
PLAU P00749 1/20 0.30

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
SCHEMBL535293 0.83
SCHEMBL536183 0.81 TRPA1 (0.34) HSD11B1TRPV1
SCHEMBL951239 0.81
SCHEMBL535335 0.81 TRPV1 (0.35) NOS3NOS1NOS2NPSR1KDM4E
SCHEMBL535962 0.81 KDM4E (0.31) KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL536153 0.80 EPHX2 (0.44) KDM4EHSD11B1MAPTL3MBTL1TRPV1
SCHEMBL535385 0.80 PLAU (0.35) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL535686 0.78 KDM4E (0.40) NOS3NOS1NOS2NPSR1KDM4E
SCHEMBL535996 0.77 KDM4E (0.39) KDM4EHSD11B1MAPTALDH1A1HTR7
SCHEMBL535554 0.71 SMN1; SMN2 (0.37) NPSR1KDM4ERAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247431-B2 Heterocyclic hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
EP-2144898-B1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2012-02-08 EP disclosed
US-7968573-B2 Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-28 US disclosed
EP-1937664-B1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2011-06-15 EP disclosed
US-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME IKEGAMI HIROSHI 2011-03-24 US disclosed
US-7867949-B2 Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-11 US disclosed
EP-2251336-A1 Hydrazide compounds as intermediates of pesticides Sumitomo Chemical Company, Limited (JP) 2010-11-17 EP disclosed
US-20100137314-A1 HARMFUL ORGANISM CONTROL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
US-20100099692-A1 HARMFUL ORGANISM CONTROL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-22 US disclosed
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-16 US 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 (5 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-20100099692-A1 HARMFUL ORGANISM CONTROL COMPOSITION UQCRC1, UQCRC2, Q6ZSR9 NOS3 2590/4885NOS1 2719/4885NOS2 3134/4885
US-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, H1-2, H1-0 NOS3 1037/4885NOS1 820/4885NOS2 830/4885
US-20100137314-A1 HARMFUL ORGANISM CONTROL COMPOSITION UQCRC2, UQCRC1, UQCRB NOS3 2944/4885NOS1 3037/4885NOS2 3343/4885
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same ACHE, DDT, CAT NOS3 2142/4885NOS1 1669/4885NOS2 1775/4885
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, CAT, DNPH1 NOS3 95/4885NOS1 96/4885NOS2 70/4885

“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.