SCHEMBL951390

SCHEMBL951390

CC(=O)Nc1c(C)cc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.47
MAPT P10636 5/20 0.47
AKR1B1 P15121 1/20 0.45
RORC P51449 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
SORT1 Q99523 1/20 0.41
GPR35 Q9HC97 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3597390 0.87 SMN1; SMN2 (0.51) MAPTRORCSMN1; SMN2HTTALDH1A1
SCHEMBL1285514 0.81 MAPT (0.56) MAPTSMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL16789775 0.79 HTT (0.47) MAPTSMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL17997748 0.79 ALDH1A1 (0.50) MAPTRORCSMN1; SMN2HTTALDH1A1
SCHEMBL14404119 0.78 ALDH1A1 (0.47) CDK2MAPTAKR1B1RORCSMN1; SMN2
SCHEMBL30406917 0.77 ALDH1A1 (0.50) MAPTAKR1B1HTTALDH1A1GPR35
SCHEMBL89086 0.77 ALDH1A1 (0.50) MAPTAKR1B1HTTALDH1A1GPR35
SCHEMBL8529460 0.77 METAP2 (0.54) HTTALDH1A1KDM4EKMT2ALMNA
SCHEMBL7591814 0.76 ALDH1A1 (0.49) CDK2MAPTAKR1B1HTTALDH1A1
SCHEMBL7591817 0.76 ALDH1A1 (0.49) CDK2MAPTAKR1B1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348558-A1 INHIBITORS OF ENCEPHALITIC ALPHAVIRUSES UT RESEARCH FOUNDATION 2022-11-03 US disclosed
WO-2021046315-A2 INHIBITORS OF ENCEPHALITIC ALPHAVIRUSES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2021-03-11 WO 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
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
EP-2251336-A1 Hydrazide compounds as intermediates of pesticides Sumitomo Chemical Company, Limited (JP) 2010-11-17 EP 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
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 (3 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-20220348558-A1 INHIBITORS OF ENCEPHALITIC ALPHAVIRUSES NEFM, EIF2AK2, PMP22 CDK2 366/4885MAPT 40/4885AKR1B1 1353/4885
US-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, H1-2, H1-0 CDK2 948/4885MAPT 4535/4885AKR1B1 507/4885
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same ACHE, DDT, CAT CDK2 3560/4885MAPT 3656/4885AKR1B1 1416/4885

“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.