SCHEMBL76177

SCHEMBL76177

COc1cc(=O)n(C)c2nc(N(C)C)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 2/20 0.56
GLA P06280 1/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ADORA1 P30542 1/20 0.52
MAPT P10636 2/20 0.44
CYP19A1 P11511 6/20 0.43
NQO2 P16083 6/20 0.43
TDP1 Q9NUW8 2/20 0.37
BRD9 Q9H8M2 2/20 0.36
BRD7 Q9NPI1 2/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
RXRA P19793 1/20 0.35
THRB P10828 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL29377253 1.00 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10GLA
Perchlorate SCHEMBL30042407 0.92 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL28428097 0.82 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL11591247 0.80 NQO2 (0.44) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL11589606 0.79 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL11590400 0.77 RXRA (0.56) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL11589892 0.77 ADORA1 (0.52) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL5701185 0.73 CDK4 (0.41) ALDH1A1HPGDHSD17B10GAAADORA1
SCHEMBL3019661 0.71 ADORA2A (0.49) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL11379787 0.65 KCNA3 (0.61) KDM4EALDH1A1HPGDHSD17B10GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092082-B1 ARTICLE WITH REDUCED ABSORBANCE SABIC GLOBAL TECHNOLOGIES BV (NL) 2018-12-12 EP claimed
US-4103257-A BLUE TO NEAR ULTRAVIOLET THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1978-07-25 US claimed
CN-115260154-A Rapid fluorescent labeling of glycans and other biomolecules with enhanced MS signal 沃特世科技公司 2022-11-01 CN disclosed
CN-110408006-B Curing agent composition for thermosetting epoxy resin composition 高新特殊工程塑料全球技术有限公司 2022-06-10 CN disclosed
US-20200174008-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION 2020-06-04 US disclosed
CN-110709700-A Method for evaluating cell surface glycosylation 朱诺治疗学股份有限公司 2020-01-17 CN disclosed
US-10436790-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2019-10-08 US disclosed
US-10416166-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2019-09-17 US disclosed
EP-3309549-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS Waters Technologies Corporation (US) 2018-04-18 EP disclosed
US-9772333-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals WATER TECHNOLOGIES CORPORATION (US) 2017-09-26 US disclosed
EP-2761296-B1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORP (US) 2017-08-30 EP disclosed
EP-1994074-A2 COPOLYCARBONATES, METHODS OF MANUFACTURE, AND USES THEREOF Sabic Innovative Plastics IP B.V. (NL) 2008-11-26 EP disclosed
WO-2007106279-A2 COPOLYCARBONATES, METHODS OF MANUFACTURE, AND USES THEREOF SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2007-09-20 WO disclosed
US-20070072960-A1 Thermoplastic polycarbonate compositions, method of manufacture, and method of use thereof GENERAL ELECTRIC COMPANY (US) 2007-03-29 US disclosed
US-20040149026-A1 Method and devices for quantitative evaluation of coatings GENERAL ELECTRIC COMPANY 2004-08-05 US disclosed
US-20030038941-A1 Method for the rapid determination of the optical quality of combinatorial libraries GENERAL ELECTRIC COMPANY 2003-02-27 US disclosed
US-20030021998-A1 TAGGING MATERIALS FOR POLYMERS, METHODS, AND ARTICLES MADE THEREBY CITIBANK, N.A., AS COLLATERAL AGENT 2003-01-30 US disclosed
US-20020135758-A1 Method for determination of structural defects of coatings GENERAL ELECTRIC COMPANY 2002-09-26 US disclosed
US-4428859-A SINGLET OXYGEN QUENCHER UNIVERSITY PATENTS, INC. (US) 1984-01-31 US disclosed
US-4103257-A BLUE TO NEAR ULTRAVIOLET THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1978-07-25 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 (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-10416166-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals FUT5, FUT6, CSGALNACT1 KDM4E 4406/4885ALDH1A1 4123/4885HPGD 4016/4885
US-20200174008-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS FUT5, FUT6, CSGALNACT1 KDM4E 4411/4885ALDH1A1 4000/4885HPGD 3778/4885
US-10436790-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals FUT5, FUT6, CSGALNACT1 KDM4E 4044/4885ALDH1A1 2251/4885HPGD 4475/4885

“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.