SCHEMBL25317752

SCHEMBL25317752

O=C(OC(=O)c1cc([N+](=O)[O-])c(F)cc1Cl)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.48
ITGA5 P08648 1/20 0.48
VCAM1 P19320 2/20 0.46
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 4/20 0.40
LMNA P02545 4/20 0.40
KMT2A Q03164 4/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GMNN O75496 1/20 0.40
TTR P02766 1/20 0.40
TP53 P04637 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
SCHEMBL7465948 0.84 VCAM1 (0.57) ITGB1ITGA5VCAM1RAB9ANPC1
Bicarbonate SCHEMBL27764750 0.83 VCAM1 (0.56) ITGB1ITGA5VCAM1RAB9ANPC1
Benzoic Acid SCHEMBL25317758 0.83 VCAM1 (0.49) VCAM1RAB9ANPC1MAPTMEN1
SCHEMBL27786546 0.80 VCAM1 (0.50) ITGB1ITGA5VCAM1RAB9ANPC1
SCHEMBL8552346 0.80 PKM (0.47) RAB9ANPC1MEN1LMNAKMT2A
SCHEMBL1785458 0.78 MEN1 (0.48) ITGB1ITGA5VCAM1RAB9ANPC1
SCHEMBL1014802 0.77 TSHR (0.44) VCAM1RAB9ANPC1MAPTMEN1
Hydrochloric Acid SCHEMBL3983490 0.76 TSHR (0.42) VCAM1RAB9ANPC1MAPTMEN1
SCHEMBL2289856 0.76 ALDH1A1 (0.57) RAB9ANPC1MAPTMEN1LMNA
SCHEMBL10626396 0.76 ALDH1A1 (0.46) VCAM1MAPTMEN1LMNAKMT2A

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-20230227415-A1 TRIAZINE BENZOATE COMPOUND AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2023-07-20 US disclosed
EP-4169910-A1 TRIAZINE BENZOATE COMPOUND AND APPLICATION THEREOF Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2023-04-26 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-20230227415-A1 TRIAZINE BENZOATE COMPOUND AND APPLICATION THEREOF NOTUM, CYP3A5, DDT ITGB1 4862/4885ITGA5 4042/4885VCAM1 4822/4885

“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.