SCHEMBL1046583

SCHEMBL1046583

Cc1ccc(-c2ccc(F)cc2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
NFE2L2 Q16236 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
USP2 O75604 1/20 0.46
DHFR P00374 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
LMNA P02545 1/20 0.46
TTR P02766 1/20 0.46
ALB P02768 1/20 0.46
HMGB1 P09429 1/20 0.46
CXCL12 P48061 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
ACMSD Q8TDX5 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL17110104 0.98 ACHE (0.48) ACHENFE2L2MEN1KMT2AALDH1A1
SCHEMBL172413 0.96 MEN1 (0.47) ACHENFE2L2MEN1KMT2AALDH1A1
SCHEMBL14206975 0.88 ACHE (0.52) ACHENFE2L2MEN1KMT2AHPGD
SCHEMBL12011033 0.88 ACHE (0.52) ACHENFE2L2MEN1KMT2AHPGD
SCHEMBL257801 0.87 ACHE (0.50) ACHENFE2L2MEN1KMT2AALDH1A1
SCHEMBL4567630 0.86 PDE3B (0.50) ACHELMNAPTGS2PTGS1PDE3B
SCHEMBL10018702 0.86 PTGS2 (0.48) ACHENFE2L2LMNAPTGS2PTGS1
SCHEMBL9057929 0.86 ALDH1A1 (0.52) NFE2L2MEN1KMT2AALDH1A1HPGD
SCHEMBL170435 0.84 PDE3B (0.49) ACHELMNAPTGS2PTGS1PDE3B
SCHEMBL10013948 0.84 PTGS2 (0.47) ACHENFE2L2LMNAPTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204390-B1 SUBSTITUTED PYRIMIDINIUM COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2019-06-05 EP disclosed
EP-2349990-B1 ARYL-PHENYL-SULFONAMIDE-PHENYLENE COMPOUNDS AND THEIR USE PIMCO 2664 LTD (GB) 2018-05-02 EP disclosed
US-9616037-B2 Aryl-phenyl-sulfonamido-cycloalkyl compounds and their use PIMCO 2664 LIMITED (GB) 2017-04-11 US disclosed
US-20160206578-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use PIMCO 2664 LIMITED (GB) 2016-07-21 US disclosed
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-26 US disclosed
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-05 US disclosed
WO-2016055431-A1 SUBSTITUTED PYRIMIDINIUM COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2016-04-14 WO disclosed
US-9302984-B2 Aryl-phenyl-sulfonamido-cycloalkyl compounds and their use PIMCO 2664 LIMITED (GB) 2016-04-05 US disclosed
US-20150266815-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use PIMCO 2664 LIMITED (GB) 2015-09-24 US disclosed
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 EP disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
US-7598289-B2 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-10-06 US disclosed
US-7595501-B2 fluorinated 2-phenylpyridine compounds complexed with iridium; improved luminescence efficiency E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-09-29 US disclosed
US-20090206326-A1 ELECTROLUMINESCENT IRIDIUM COMPOUNDS WITH FLUORINATED PHENYLPRYIDINES, PHENYLPYRIMIDINES, AND PHENYLQUINOLINES AND DEVICES MADE WITH SUCH COMPOUNDS LG CHEM, LTD. (KR) 2009-08-20 US disclosed
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2008-12-18 US disclosed
WO-2008139287-A1 AZETIDINE DERIVATIVES AND THEIR USE AS PROSTAGLANDIN E2 ANTAGONISTS PFIZER LIMITED (GB) 2008-11-20 WO disclosed
US-20080280877-A1 Azetidines PFIZER INC 2008-11-13 US disclosed
US-20080119555-A1 Aryl Alkyl Sulfonamides As Therapeutic Agents For The Treatment Of Bone Conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2008-05-22 US disclosed
WO-2007043542-A9 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2008-05-08 WO 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 (10 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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ACHE 2191/4885NFE2L2 2330/4885MEN1 2729/4885
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI SNX1, DPM1, SNU13 ACHE 3987/4885NFE2L2 3975/4885MEN1 2118/4885
US-20080119555-A1 Aryl Alkyl Sulfonamides As Therapeutic Agents For The Treatment Of Bone Conditions ARSA, CNKSR1, BCL9L ACHE 1926/4885NFE2L2 836/4885MEN1 3229/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ACHE 2191/4885NFE2L2 2330/4885MEN1 2729/4885
US-20150266815-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use SOST, AADAC, ARSA ACHE 4111/4885NFE2L2 508/4885MEN1 4698/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 ACHE 4127/4885NFE2L2 4078/4885MEN1 3302/4885
US-20160206578-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use SOST, AADAC, ARSA ACHE 4111/4885NFE2L2 508/4885MEN1 4698/4885
US-20080280877-A1 Azetidines PTGER2, PTGER1, PTGDR2 ACHE 3957/4885NFE2L2 162/4885MEN1 929/4885
US-20090206326-A1 ELECTROLUMINESCENT IRIDIUM COMPOUNDS WITH FLUORINATED PHENYLPRYIDINES, PHENYLPYRIMIDINES, AND PHENYLQUINOLINES AND DEVICES MADE WITH SUCH COMPOUNDS QDPR, DPYD, KCNQ5 ACHE 1667/4885NFE2L2 578/4885MEN1 3861/4885
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS AK1, IRAK1, CNKSR1 ACHE 1753/4885NFE2L2 1289/4885MEN1 2686/4885

“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.