SCHEMBL933049

SCHEMBL933049

CC(C)(C)OC(=O)Nc1ccncc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 6/20 0.46
NAMPT P43490 1/20 0.46
CYP17A1 P05093 3/20 0.45
ATR Q13535 1/20 0.42
RAB9A P51151 1/20 0.42
KDM6B O15054 3/20 0.41
KDM4D Q6B0I6 1/20 0.41
IDO1 P14902 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
METAP1 P53582 1/20 0.40
BRS3 P32247 1/20 0.40

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
SCHEMBL28764741 0.89 NAMPT (0.44) KDM4CNAMPTCYP17A1ATRRAB9A
SCHEMBL12190376 0.88 NAMPT (0.49) NAMPTCYP17A1ATRRAB9AIDO1
SCHEMBL535637 0.88 KDM4C (0.58) KDM4CNAMPTCYP17A1KDM6BKDM4D
SCHEMBL950258 0.87 ATR (0.53) NAMPTCYP17A1ATRRAB9AIDO1
SCHEMBL5551442 0.87 SIRT3 (0.47) NAMPTCYP17A1ATRRAB9AIDO1
SCHEMBL2210869 0.86 NAMPT (0.47) NAMPTCYP17A1ATRRAB9AIDO1
SCHEMBL18522430 0.84 NAMPT (0.50) KDM4CNAMPTCYP17A1ATRRAB9A
SCHEMBL3717883 0.83 KDM4C (0.50) KDM4CNAMPTKDM6BKDM4DIDO1
SCHEMBL3666785 0.82 NAMPT (0.48) NAMPTCYP17A1ATRRAB9AMETAP1
SCHEMBL2107971 0.82 NAMPT (0.48) NAMPTCYP17A1ATRRAB9AMETAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306677-A1 COMPOSITIONS AND METHODS FOR MAKING HYBRID POLYPEPTIDES YALE UNIVERSITY 2022-09-29 US disclosed
WO-2020247605-A1 COMPOSITIONS AND METHODS FOR MAKING HYBRID POLYPEPTIDES YALE UNIVERSITY (US) 2020-12-10 WO disclosed
US-9682953-B2 Amide compounds, compositions and applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2017-06-20 US disclosed
US-9682953-B2 Amide compounds, compositions and applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2017-06-20 US disclosed
US-9682953-B2 Amide compounds, compositions and applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2017-06-20 US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
CN-103958473-B Amide compound, composition and application thereof ADVINUS THERAPEUTICS LTD. (IN) 2016-11-30 CN disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
US-6521620-B1 Suppressing tumors, especially breast cancers; antiproli-ferative agents; arthritis, vascular restenosis, psoriasis and angiogenesis; extremely low cytotoxicity WARNER-LAMBERT COMPANY 2003-02-18 US disclosed
US-6455534-B2 ANTIPROLIVERATIVE, -CARCINOGENIC AND -TUMOR AGENTS; MITOGENESIS-ACTIVATED PROTEIN KINASE INHIBITORS; NONCYTOTOXIC; BINDING WITH HIGH AFFINITY AT THE ADENOSINE TRIPHOSPHATE BINDING SITE OF THE KINASES WARNER-LAMBERT COMPANY 2002-09-24 US disclosed
EP-1140905-A1 HETEROAROMATIC AMIDES AS INHIBITOR OF FACTOR XA ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
US-20010027197-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family BRIDGES ALEXANDER JAMES (US) 2001-10-04 US disclosed
US-6265410-B1 ANTICARCINOGENIC AGENTS WARNER-LAMBERT COMPANY 2001-07-24 US disclosed
WO-2000039117-A1 HETEROROAROMATIC AMIDES AS INHIBITOR OF FACTOR Xa ELI LILLY AND COMPANY (US) 2000-07-06 WO disclosed
US-6084095-A INCLUDING 6-AMINO-4-(3-BROMOANILINO)PYRIDO(3,2-D)PYRIMIDINE; 4-(3-BROMOANILINO)-6-METHYLAMINOPYRIDO (3,2-D)PYRIMIDINE; AND 4-(3-BROMOANILINO)-6-METHYLAMINOPYRIDO(3,2-D)PYRIMIDINE; USEFUL IN TREATING PROLIFERATIVE DISEASES SUCH AS CANCER WARNER-LAMBERT COMPANY (US) 2000-07-04 US disclosed
US-5654307-A ANTICARCINOGENIC AGENTS, ANTIARTHRITIC AGENT, SKIN DISORDERS WARNER-LAMBERT COMPANY (US) 1997-08-05 US disclosed
EP-0742717-A1 BICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-20 EP disclosed
WO-1995019774-A1 BICYCLIC 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KDM4C 3111/4885NAMPT 481/4885CYP17A1 649/4885
US-20220306677-A1 COMPOSITIONS AND METHODS FOR MAKING HYBRID POLYPEPTIDES NSUN3, TARBP1, TRDMT1 KDM4C 2458/4885NAMPT 1615/4885CYP17A1 4165/4885
US-20010027197-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family EGFR, ERBB2, ERBB3 KDM4C 1773/4885NAMPT 2920/4885CYP17A1 1048/4885

“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.