SCHEMBL6725089

SCHEMBL6725089

COc1cc(-n2nc3ccc(Cl)cn3c2=O)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 8/20 0.35
LMNA P02545 3/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 1/20 0.34
G6PD P11413 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 1/20 0.34
DHODH Q02127 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 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
SCHEMBL6724660 0.87 ALDH1A1 (0.35) TDP1ALDH1A1LMNAMAPTCYP1A2
SCHEMBL6727422 0.85 ALDH1A1 (0.35) TDP1ALDH1A1LMNAMAPTCYP1A2
SCHEMBL6727367 0.85 PPOX (0.43) TDP1ALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL6734700 0.84 ALKBH5 (0.35) TDP1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL6727669 0.84 MAPK1 (0.38) ALDH1A1LMNAMAPT
SCHEMBL6730527 0.83 DHODH (0.36) DHODH
SCHEMBL6730520 0.80 S1PR3 (0.36) KMT2ADHODHMEN1
SCHEMBL6735480 0.79 MAPT (0.42) TDP1ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL7014817 0.79 DHODH (0.36) ALDH1A1SMN1; SMN2MAPTDHODH
SCHEMBL6724655 0.72 SLC5A2 (0.36) ALDH1A1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063580-A1 Bicyclic triazolone derivatives and a herbicides containing the same SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2004-04-01 US disclosed
EP-1333031-A1 BICYCLIC TRIAZOLONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME Sumitomo Chemical Takeda Agro Company, Limited (JP) 2003-08-06 EP 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 (1 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-20040063580-A1 Bicyclic triazolone derivatives and a herbicides containing the same WEE1, WEE2, BAK1 TDP1 2006/4885ALDH1A1 318/4885LMNA 3420/4885

“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.