SCHEMBL7716065

SCHEMBL7716065

N=C(Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)C(F)(F)C(F)(F)C(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HIF1A Q16665 1/20 0.42
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
HRAS P01112 2/20 0.41
MAPK1 P28482 5/20 0.41
GAA P10253 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 0.41
P2RX1 P51575 2/20 0.38

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
SCHEMBL7713968 0.87 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL7716306 0.84 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL7715485 0.84 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL7715480 0.83 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL7713943 0.82 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL7713980 0.81 ALDH1A1 (0.51) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL7713948 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL7713935 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL7713994 0.80 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL7713973 0.80 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRTDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376710-B2 INSECTICIDES, NEMATODICIDES, MITICIDES SUMITOMO CHEMICAL CO., LTD. (JP) 2002-04-23 US disclosed
US-20010041740-A1 Amidine compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-11-15 US disclosed
EP-1138668-A2 Amidine compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-10-04 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-20010041740-A1 Amidine compounds and their use as pesticides DDT, CNR1, PRMT1 ALDH1A1 1367/4885CYP3A4 1388/4885TSHR 459/4885

“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.