SCHEMBL382091

SCHEMBL382091

CSc1ccc(N)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
TSHR P16473 2/20 0.55
GLA P06280 1/20 0.55
POLB P06746 1/20 0.55
PDE7A Q13946 2/20 0.42
NR1H2 P55055 1/20 0.41
KIF11 P52732 3/20 0.39
AR P10275 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
SRC P12931 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TLR9 Q9NR96 1/20 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
SCHEMBL709679 0.83 GAA (0.59) GAATSHRGLAPOLBPDE7A
SCHEMBL11428319 0.79 GAA (0.50) GAATSHRGLAPOLBPDE7A
SCHEMBL30761014 0.78 PDE7A (0.63) GAATSHRGLAPOLBPDE7A
SCHEMBL22904716 0.78 CES2 (0.46) POLBKIF11ARALDH1A1KDM4E
SCHEMBL27075757 0.78 IDO1 (0.42) ARKMT2AATMNOTUMCCR2
SCHEMBL12879057 0.78 SMN1; SMN2 (0.39) GAAKIF11ARMEN1HPGD
SCHEMBL710314 0.78 KDM1A (0.43) ARALDH1A1NOTUMCCR2
SCHEMBL7183456 0.77 PDE7A (0.66) GAATSHRGLAPOLBPDE7A
SCHEMBL31457325 0.77 PDE7A (0.66) GAATSHRGLAPOLBPDE7A
SCHEMBL20096576 0.77 CA12 (0.38) GAATSHRGLAPOLBPDE7A

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 US disclosed
EP-3700340-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF Dow Agrosciences LLC (US) 2020-09-02 EP disclosed
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 EP disclosed
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 EP disclosed
EP-2408742-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-01-25 EP disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
US-20040106594-A1 Phenyl heterocyclyl ethers PFIZER INC 2004-06-03 US disclosed
EP-1377550-A1 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS Pfizer Limited (GB) 2004-01-07 EP disclosed
US-20030207857-A1 Phenyl heterocyclyl ethers PFIZER INC. 2003-11-06 US disclosed
EP-1268396-A1 DIPHENYL ETHER COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2003-01-02 EP disclosed
WO-2002083643-A1 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2002-10-24 WO disclosed
US-6448293-B1 TREATMENT OR PREVENTION OF A DISORDER IN WHICH THE REGULATION OF MONOAMINE TRANSPORTER FUNCTION IS IMPLICATED, SUCH AS PREMATURE EJACULATION. PFIZER INC. 2002-09-10 US disclosed
US-20020052395-A1 Diphenyl ether compounds useful in therapy ANDREWS MARK DAVID (GB) 2002-05-02 US disclosed
WO-2001072687-A1 DIPHENYL ETHER COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2001-10-04 WO disclosed
US-4184867-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1980-01-22 US disclosed
US-4108993-A 3-OXO-5,6-DIHYDRO-1,2,4-OXADIAZINES USEFUL AS ANTIANDROGENIC AGENTS ROUSSEL UCLAF (FR) 1978-08-22 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 (5 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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO GAA 749/4885TSHR 4671/4885GLA 2716/4885
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT GAA 1663/4885TSHR 1867/4885GLA 3979/4885
US-20020052395-A1 Diphenyl ether compounds useful in therapy CBR1, OGFR, CBR3 GAA 3460/4885TSHR 112/4885GLA 4058/4885
US-20030207857-A1 Phenyl heterocyclyl ethers CYP2E1, CYP1A1, CCNI GAA 2629/4885TSHR 4516/4885GLA 2221/4885
US-20040106594-A1 Phenyl heterocyclyl ethers CYP2E1, CYP1A1, CCNI GAA 2629/4885TSHR 4516/4885GLA 2221/4885

“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.