SCHEMBL4589608

SCHEMBL4589608

Nc1nc(C(F)(F)F)c(Cl)s1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
EPHX2 P34913 1/20 0.35
SCN4A P35499 1/20 0.35
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MPL P40238 2/20 0.31
LMNA P02545 1/20 0.31
PDE10A Q9Y233 1/20 0.31
PRMT6 Q96LA8 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL6251643 0.83 SMN1; SMN2 (0.31) ALDH1A1EPHX2SCN4ASMN1; SMN2
SCHEMBL20791827 0.77 ALDH1A1 (0.42) ALDH1A1HPGDSMN1; SMN2LMNAPDE10A
SCHEMBL25263416 0.77 FBP1 (0.34) ALDH1A1EPHX2HPGD
SCHEMBL8806645 0.76 MEN1 (0.39)
SCHEMBL1897569 0.76 ALDH1A1 (0.39) ALDH1A1EPHX2SCN4AHPGDHSD17B10
SCHEMBL2145717 0.74 CNR2 (0.30)
SCHEMBL20907837 0.74 MPL (0.42) ALDH1A1EPHX2SCN4AHPGDHSD17B10
SCHEMBL3067173 0.74 ENPP3 (0.33)
SCHEMBL23214563 0.74 ALDH1A1 (0.37) ALDH1A1HPGDSMN1; SMN2NOS1
SCHEMBL2307680 0.73 ALDH1A1 (0.37) ALDH1A1EPHX2SCN4AHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210379044-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2021-12-09 US disclosed
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE IP DEV LTD (GB) 2019-11-07 US disclosed
WO-2018134731-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-07-26 WO disclosed
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
US-9670192-B2 Substituted isoxazole derivatives BASF SE (DE) 2017-06-06 US disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
WO-2004056177-A2 INSECTICIDAL AMINOTHIAZOLE DERIVATIVES NIPPON SODA CO. LTD. (JP) 2004-07-08 WO disclosed
US-6737382-B1 WIDE SPECTRUM OF PLANT PROTECTING ACTIVITY NIPPON SODA CO. LTD. (JP) 2004-05-18 US disclosed
US-20040082629-A1 INSECTICIDAL AMINOTHIAZOLE DERIVATIVES NIPPON SODA CO., LTD. 2004-04-29 US disclosed
US-5605912-A INSECTICIDES, MITICIDES ROUSSEL UCLAF (FR) 1997-02-25 US disclosed
EP-0547972-B1 Heterocyclic amide derivatives and their use as pesticides ROUSSEL UCLAF (FR) 1995-03-22 EP disclosed
US-5380733-A Certain pyridyl-5-phenyl-1-cyclopropyl-dienamide pesticides ROUSSEL UCLAF (FR) 1995-01-10 US disclosed
CN-1076190-A Sterilant ROUSSEL UCLAF (FR) 1993-09-15 CN disclosed
EP-0547972-A1 Heterocyclic amide derivatives and their use as pesticides ROUSSEL-UCLAF (FR) 1993-06-23 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 (3 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-20040082629-A1 INSECTICIDAL AMINOTHIAZOLE DERIVATIVES SCN7A, SCN2B, CASP7 ALDH1A1 1229/4885EPHX2 2621/4885SCN4A 5/4885
US-20210379044-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 ALDH1A1 4695/4885EPHX2 1907/4885SCN4A 4094/4885
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 ALDH1A1 4730/4885EPHX2 2319/4885SCN4A 3992/4885

“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.