SCHEMBL950504

SCHEMBL950504

O=[N+]([O-])c1cccnc1-n1[c]cc(C(F)(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.44
MAPT P10636 3/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PKM P14618 1/20 0.40
HSD11B1 P28845 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE10A Q9Y233 1/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL535490 0.80 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL535950 0.80 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL536143 0.78 EPHX2 (0.46) MAPTALDH1A1L3MBTL1HSD11B1KDM4E
SCHEMBL536060 0.78 KDM4E (0.40) MAPTALDH1A1L3MBTL1HSD11B1KDM4E
SCHEMBL535686 0.78 KDM4E (0.40) LMNAMAPTALDH1A1L3MBTL1HSD11B1
SCHEMBL535588 0.77 KDM4E (0.39) MAPTALDH1A1L3MBTL1HSD11B1KDM4E
SCHEMBL535290 0.77 KDM4E (0.39) MAPTALDH1A1L3MBTL1HSD11B1KDM4E
SCHEMBL535393 0.77 KDM4E (0.39) MAPTALDH1A1L3MBTL1HSD11B1KDM4E
SCHEMBL536210 0.74 TRPV1 (0.37) MAPTALDH1A1L3MBTL1HSD11B1KDM4E
SCHEMBL536087 0.74 KDM4E (0.39) MAPTALDH1A1L3MBTL1HSD11B1SMN1; SMN2

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 13 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
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
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 (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 CYP1A2 189/4885CYP2C9 460/4885CYP2C19 448/4885
US-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, H1-2, H1-0 CYP1A2 222/4885CYP2C9 415/4885CYP2C19 905/4885
US-20100137314-A1 HARMFUL ORGANISM CONTROL COMPOSITION UQCRC2, UQCRC1, UQCRB CYP1A2 87/4885CYP2C9 348/4885CYP2C19 302/4885
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same ACHE, DDT, CAT CYP1A2 504/4885CYP2C9 265/4885CYP2C19 557/4885
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, CAT, DNPH1 CYP1A2 446/4885CYP2C9 181/4885CYP2C19 345/4885

“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.