SCHEMBL1478419

SCHEMBL1478419

COc1cccc(F)c1C=NO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
KDM4E B2RXH2 3/20 0.53
AMY1A P0DUB6 1/20 0.44
NFE2L2 Q16236 1/20 0.43
KRAS P01116 1/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CA12 O43570 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 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
SCHEMBL1478416 1.00 HPGD (0.53) HPGDKDM4EAMY1ANFE2L2KRAS
SCHEMBL7222223 1.00 HPGD (0.53) HPGDKDM4EAMY1ANFE2L2KRAS
SCHEMBL8693675 0.87 KDM4E (0.61) HPGDKDM4EAMY1ALMNAMAPT
SCHEMBL8693670 0.87 KDM4E (0.61) HPGDKDM4EAMY1ALMNAMAPT
SCHEMBL10422411 0.82 LMNA (0.43) HPGDKDM4ELMNAMAPTALDH1A1
SCHEMBL10422412 0.82 LMNA (0.43) HPGDKDM4ELMNAMAPTALDH1A1
SCHEMBL20148150 0.80 POLB (0.44) HPGDKDM4ENFE2L2LMNAALDH1A1
SCHEMBL4398099 0.80 POLB (0.44) HPGDKDM4ENFE2L2LMNAALDH1A1
SCHEMBL4398103 0.80 POLB (0.44) HPGDKDM4ENFE2L2LMNAALDH1A1
SCHEMBL13717604 0.80 HPGD (0.54) HPGDKDM4EAMY1ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021028419-A1 SUBSTITUTED 3-(2-HETEROARYLOXYPHENYL)ISOXAZOLINES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO disclosed
CN-109906224-A TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF 诺华股份有限公司 2019-06-18 CN disclosed
CN-109790166-A imidazopyridine compounds for the treatment of cancer 诺华股份有限公司 2019-05-21 CN disclosed
US-20130079366-A1 Benzisoxazoles and Azabenzisoxazoles as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction VANDERBILT UNIVERSITY (US) 2013-03-28 US disclosed
US-8357809-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 US disclosed
EP-2533642-A1 BENZISOXAZOLES AND AZABENZISOXAZOLES AS mgluR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION Vanderbilt University (US) 2012-12-19 EP disclosed
CN-102834009-A Benzisoxazoles and azabenzisoxazoles as mglur4 allosteric potentiators, compositions, and methods of treating neurological dysfunction UNIV VANDERBILT 2012-12-19 CN disclosed
US-20120094983-A1 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
WO-2011100614-A1 BENZISOXAZOLES AND AZABENZISOXAZOLES AS mgluR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2011-08-18 WO disclosed
US-7915410-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 US disclosed
CN-101277939-A Acyclic ikur inhibitors BRISTOL MYERS SQUIBB CO (US) 2008-10-01 CN disclosed
EP-1922311-A2 ACYCLIC IKUR INHIBITORS Brystol-Myers Squibb Company (US) 2008-05-21 EP disclosed
US-20070082909-A1 Acyclic Ikur inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-12 US disclosed
WO-2007030582-A2 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-15 WO disclosed
CN-1137100-C Tricyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family ��ʲ 2004-02-04 CN disclosed
US-6596726-B1 Method of inhibiting epidermal growth factor by treating, with an effective inhibiting amount, a mammal, in need thereof inhibit the epidermal growth factor receptor and related receptors and, in particular, their tyrosine kinase enzyme WARNER LAMBERT COMPANY 2003-07-22 US disclosed
US-5679683-A USEFUL FOR TREATING CANCER, ARTHRITIS, PSORIASIS, VASCULAR RESTENOSIS AND ANGIOGENESIS WARNER-LAMBERT COMPANY (US) 1997-10-21 US disclosed
CN-1139430-A Tricyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family WARNER LAMBERT CO (US) 1997-01-01 CN disclosed
EP-0741711-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-13 EP disclosed
WO-1995019970-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1995-07-27 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 (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-20070082909-A1 Acyclic Ikur inhibitors KCNH2, KCNJ2, KCNH3 HPGD 2919/4885KDM4E 781/4885AMY1A 3473/4885
US-20130079366-A1 Benzisoxazoles and Azabenzisoxazoles as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction GRIK4, GRM4, GRIA4 HPGD 2936/4885KDM4E 1145/4885AMY1A 4764/4885
US-20120094983-A1 ACYCLIC IKUR INHIBITORS KCNH2, KCNJ2, KCNH3 HPGD 2919/4885KDM4E 781/4885AMY1A 3473/4885

“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.