SCHEMBL3556897

SCHEMBL3556897

Cc1nc(C)c([N+](=O)[O-])c(O)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CASP7 P55210 1/20 0.35
CASP6 P55212 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 0.34
P2RX3 P56373 2/20 0.33
PKM P14618 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
SCHEMBL11614853 0.88 TDP1 (0.39) MAPTTDP1MEN1KMT2AL3MBTL1
SCHEMBL26967850 0.78 P2RX3 (0.41) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11313940 0.73 TDP1 (0.42) TDP1MEN1KMT2AL3MBTL1POLB
SCHEMBL15316166 0.72 PDE10A (0.44) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL31426567 0.72 POLB (0.58) MAPTTDP1MEN1KMT2AL3MBTL1
SCHEMBL4507172 0.72 POLB (0.42) MAPTTDP1MEN1KMT2AL3MBTL1
SCHEMBL27218048 0.72 P2RX3 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL30843851 0.72 P2RX3 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL10564360 0.71 POLB (0.56) MAPTTDP1MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL10564361 0.71 POLB (0.56) MAPTTDP1MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659307-B2 Nonphytotoxic; 4-Bromo-3-methoxy-N-4-[4(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide; 4-[(Allyloxycarbonyl)amino]-3-methoxy-N-4-[4-(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide BAYER CROPSCIENCE S.A. (FR) 2010-02-09 US disclosed
US-7659307-B2 Nonphytotoxic; 4-Bromo-3-methoxy-N-4-[4(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide; 4-[(Allyloxycarbonyl)amino]-3-methoxy-N-4-[4-(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide BAYER CROPSCIENCE S.A. (FR) 2010-02-09 US disclosed
US-7659307-B2 Nonphytotoxic; 4-Bromo-3-methoxy-N-4-[4(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide; 4-[(Allyloxycarbonyl)amino]-3-methoxy-N-4-[4-(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide BAYER CROPSCIENCE S.A. (FR) 2010-02-09 US disclosed
US-20060205732-A1 Heterocyclic carboxamides and their use as fungicides BAYER SAS (FR) 2006-09-14 US disclosed
US-7084163-B2 Heterocyclic carboxamides and their use as fungicides BAYER CROPSCIENCE S.A. (FR) 2006-08-01 US disclosed
US-20040152698-A1 Heterocyclic carboxamides and their use as fungicides BAYER SAS (FR) 2004-08-05 US disclosed
EP-1425276-A2 HETEROCYCLIC CARBOXAMIDES AND THEIR USE AS FUNGICIDES Bayer CropScience S.A. (FR) 2004-06-09 EP disclosed
WO-2003006454-A2 HETEROCYCLIC CARBOXAMIDES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE S.A. (FR) 2003-01-23 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 (2 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-20040152698-A1 Heterocyclic carboxamides and their use as fungicides CYP1A2, CYP4X1, CYCS MAPT 4778/4885TDP1 2440/4885MEN1 3722/4885
US-20060205732-A1 Heterocyclic carboxamides and their use as fungicides CYP4X1, CYP1A2, CYCS MAPT 4693/4885TDP1 2646/4885MEN1 3989/4885

“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.