SCHEMBL535554

SCHEMBL535554

Brc1c[c]n(-c2ccccn2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
PLD1 Q13393 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
EP300 Q09472 1/20 0.35
KAT2B Q92831 1/20 0.35
RAB9A P51151 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 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
SCHEMBL535437 0.80 HDAC8 (0.43) SMN1; SMN2PLD1ALDH1A1KDM4ETDP1
SCHEMBL535560 0.79 SMN1; SMN2 (0.37) SMN1; SMN2PLD1ALDH1A1KDM4ETDP1
SCHEMBL535473 0.79 TDP1 (0.42) SMN1; SMN2PLD1ALDH1A1KDM4ETDP1
SCHEMBL536126 0.79 SMN1; SMN2 (0.44) SMN1; SMN2PLD1ALDH1A1KDM4EPOLB
SCHEMBL16739280 0.75 SMN1; SMN2 (0.41) SMN1; SMN2PLD1ALDH1A1KDM4EPOLB
SCHEMBL536282 0.75 HTT (0.37) SMN1; SMN2PLD1ALDH1A1KDM4EPOLB
SCHEMBL535293 0.74
SCHEMBL535505 0.73 KDM4E (0.35) SMN1; SMN2ALDH1A1KDM4ERAB9AMEN1
SCHEMBL536183 0.71 TRPA1 (0.34)
SCHEMBL535962 0.71 KDM4E (0.31) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101580489-A Nitrogenous heterocyclic ring compound and preparation method and application thereof SINOCHEM CORP (CN) 2009-11-18 CN claimed
CN-101628881-B Substituted cyanoacetate compound and application thereof SINOCHEM CORP 2012-11-14 CN 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
CN-101580489-B Nitrogenous heterocyclic ring compound and preparation method and application thereof SINOCHEM GROUP CO LTD 2011-07-20 CN 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
CN-101580489-A Nitrogenous heterocyclic ring compound and preparation method and application thereof SINOCHEM CORP (CN) 2009-11-18 CN 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 SMN1; SMN2 3015/4885PLD1 1978/4885ALDH1A1 280/4885
US-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, H1-2, H1-0 SMN1; SMN2 2851/4885PLD1 347/4885ALDH1A1 238/4885
US-20100137314-A1 HARMFUL ORGANISM CONTROL COMPOSITION UQCRC2, UQCRC1, UQCRB SMN1; SMN2 3145/4885PLD1 2985/4885ALDH1A1 217/4885
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same ACHE, DDT, CAT SMN1; SMN2 2755/4885PLD1 973/4885ALDH1A1 436/4885
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, CAT, DNPH1 SMN1; SMN2 2564/4885PLD1 1159/4885ALDH1A1 719/4885

“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.