SCHEMBL9765088

SCHEMBL9765088

O=[N+]([O-])c1cc(Cl)c(Cl)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
CYP3A4 P08684 3/20 0.53
ALDH1A1 P00352 3/20 0.53
ALOX15 P16050 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
HPGD P15428 1/20 0.53
HIF1A Q16665 1/20 0.53
TXNRD1 Q16881 1/20 0.53
TXNRD3 Q86VQ6 1/20 0.53
TXNRD2 Q9NNW7 1/20 0.53
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
MAPK1 P28482 2/20 0.42
SIRT6 Q8N6T7 1/20 0.42
AR P10275 2/20 0.41
CES2 O00748 1/20 0.41
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL7617600 0.90 CYP3A4 (0.52) TSHRCYP3A4ALDH1A1ALOX15TDP1
SCHEMBL24557845 0.87 ALDH1A1 (0.49) TSHRCYP3A4ALDH1A1ALOX15TDP1
SCHEMBL10812794 0.87 ALDH1A1 (0.49) TSHRCYP3A4ALDH1A1ALOX15TDP1
SCHEMBL27706494 0.85 ALDH1A1 (0.48) TSHRCYP3A4ALDH1A1ALOX15TDP1
SCHEMBL10489159 0.85 ALDH1A1 (0.47) TSHRCYP3A4ALDH1A1ALOX15TDP1
SCHEMBL29955631 0.81 CYP3A4 (0.44) TSHRCYP3A4ALDH1A1ALOX15TDP1
SCHEMBL11763256 0.80 MEN1 (0.44) TSHRCYP3A4ALDH1A1ALOX15TDP1
SCHEMBL27732523 0.79 ALDH1A1 (0.47) TSHRCYP3A4ALDH1A1ALOX15TDP1
SCHEMBL29672221 0.78 TSHR (0.52) TSHRCYP3A4ALDH1A1ALOX15TDP1
SCHEMBL602444 0.78 TSHR (0.52) TSHRCYP3A4ALDH1A1ALOX15TDP1

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-20240132531-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2024-04-25 US disclosed
CN-116710447-A Novel galectin inhibitors of galectins 格莱克特生物技术公司 2023-09-05 CN disclosed
US-5026895-A For cultivated plants BUDAPESTI VEGYIMUVEK (HU) 1991-06-25 US disclosed
US-5003103-A Decarboxylation, chlorodenitration, catalysis OCCIDENTAL CHEMICAL CORPORATION (US) 1991-03-26 US disclosed
US-4876376-A Process for the halogenation, nitration and fluorination of aromatic derivatives RHONE-POULENC SPECIALISTES CHIMIQUES (FR) 1989-10-24 US disclosed
US-4219352-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1980-08-26 US disclosed
US-RE30361-E Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1980-08-05 US disclosed
US-4076741-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1978-02-28 US 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-20240132531-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS LGALS1, LGALS3, LGALS3BP TSHR 1475/4885CYP3A4 3862/4885ALDH1A1 1546/4885

“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.