SCHEMBL535599

SCHEMBL535599

Cn1nc[c]c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 3/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
CASP1 P29466 1/20 0.33
BRCA1 P38398 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33
KEAP1 Q14145 1/20 0.33

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
SCHEMBL698662 0.73 NPC1 (0.46) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL4984457 0.73 ALDH1A1 (0.41) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL536101 0.73 KDM4E (0.45) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL16877197 0.72 NOTUM (0.35) NPC1RAB9AMAPTALDH1A1HSD17B10
SCHEMBL7674228 0.67 NR1H2 (0.37) NPC1RAB9ANR1H2NR1H3KMT2A
SCHEMBL1492646 0.65 MAPT (0.46) NPC1RAB9ANR1H2NR1H3KMT2A
SCHEMBL700364 0.62
SCHEMBL2042743 0.61
SCHEMBL7035555 0.61
SCHEMBL31247866 0.58 CYP1A2 (0.40) NPC1RAB9ANR1H2NR1H3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9204647-B2 Pyrazole compounds for controlling invertebrate pests BASF SE (DE) 2015-12-08 US disclosed
US-20140068820-A1 Pyrazole Compounds for Controlling Invertebrate Pests BASF SE (DE) 2014-03-06 US disclosed
EP-2197280-B1 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2013-06-19 EP disclosed
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
EP-2144898-A2 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME Sumitomo Chemical Company, Limited (JP) 2010-01-20 EP disclosed
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-16 US disclosed
WO-2008130021-A2 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-30 WO disclosed
EP-1937664-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME Sumitomo Chemical Company, Limited (JP) 2008-07-02 EP disclosed
WO-2007043677-A9 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2007-06-07 WO disclosed
WO-2007043677-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-19 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 (6 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 NPC1 4459/4885RAB9A 2066/4885NR1H2 2984/4885
US-20140068820-A1 Pyrazole Compounds for Controlling Invertebrate Pests GRIN2A, PRXL2A, GRIN3A NPC1 3583/4885RAB9A 1721/4885NR1H2 186/4885
US-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, H1-2, H1-0 NPC1 2989/4885RAB9A 391/4885NR1H2 2869/4885
US-20100137314-A1 HARMFUL ORGANISM CONTROL COMPOSITION UQCRC2, UQCRC1, UQCRB NPC1 4328/4885RAB9A 2572/4885NR1H2 3069/4885
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same ACHE, DDT, CAT NPC1 1827/4885RAB9A 523/4885NR1H2 2618/4885
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, CAT, DNPH1 NPC1 1902/4885RAB9A 658/4885NR1H2 2251/4885

“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.