SCHEMBL168005

SCHEMBL168005

CN(C)Cc1ccccc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.53
SLC6A4 P31645 3/20 0.53
SLC6A3 Q01959 2/20 0.53
TSHR P16473 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
METAP2 P50579 1/20 0.42
PARP1 P09874 3/20 0.42
PARP2 Q9UGN5 1/20 0.42
PARP3 Q9Y6F1 1/20 0.42
BCAT2 O15382 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
RPS6KB1 P23443 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL31213435 1.00 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3TSHRKDM4E
SCHEMBL6589526 0.86 BCAT2 (0.49) SLC6A2SLC6A4SLC6A3TSHRKDM4E
SCHEMBL30839546 0.83 PARP1 (0.48) SLC6A2SLC6A4SLC6A3TSHRALDH1A1
SCHEMBL1421554 0.82 FOLH1 (0.58) SLC6A2SLC6A4SLC6A3TSHRALDH1A1
SCHEMBL3884171 0.82 SIRT2 (0.43) SLC6A2SLC6A4SLC6A3TSHRKDM4E
SCHEMBL25978795 0.82 MAPT (0.40) SLC6A2SLC6A4SLC6A3TSHRKDM4E
SCHEMBL2486332 0.81 TAAR1 (0.50) TSHRKDM4EALDH1A1MAPTHPGD
SCHEMBL7244380 0.81 FOLH1 (0.56) SLC6A2SLC6A4SLC6A3TSHRALDH1A1
Hydrochloric Acid SCHEMBL29690743 0.81 FOLH1 (0.56) SLC6A2SLC6A4SLC6A3TSHRALDH1A1
Hydrochloric Acid SCHEMBL29811165 0.80 TAAR1 (0.49) TSHRKDM4EALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040108-A1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-10-04 EP claimed
WO-1999032477-A1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-01 WO claimed
EP-4043460-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2024-06-05 EP disclosed
US-20200174008-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION 2020-06-04 US 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
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-2990401-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MASS SPECTROMETRY SIGNALS Waters Technologies Corporation (US) 2016-03-02 EP disclosed
US-20140350263-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2014-11-27 US disclosed
WO-2013049622-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2013-04-04 WO disclosed
US-8410075-B2 Mannich base N-oxide drugs CASCADE PRODRUG INC. (US) 2013-04-02 US disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed
WO-2012027965-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed
US-20100016252-A1 Mannich Base N-Oxide Drugs State of Oregon Acting By and Through The Oregon State Board of Higher Education On Behalf of The U (US) 2010-01-21 US disclosed
US-20050261332-A1 Sulfonamides and uses thereof ELIXIR PHARMACEUTICALS, INC. 2005-11-24 US disclosed
EP-1040108-A1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-10-04 EP disclosed
WO-1999032477-A1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-01 WO disclosed
EP-0804420-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-11-05 EP 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 (6 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-20140350263-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS FUT5, FUT6, CSGALNACT1 SLC6A2 3075/4885SLC6A4 2716/4885SLC6A3 3086/4885
US-10416166-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals FUT5, FUT6, CSGALNACT1 SLC6A2 3433/4885SLC6A4 2895/4885SLC6A3 2831/4885
US-20200174008-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS FUT5, FUT6, CSGALNACT1 SLC6A2 3075/4885SLC6A4 2716/4885SLC6A3 3086/4885
US-20100016252-A1 Mannich Base N-Oxide Drugs ASAH2, MAN2B1, NNT SLC6A2 544/4885SLC6A4 1854/4885SLC6A3 836/4885
US-20050261332-A1 Sulfonamides and uses thereof GLS2, STS, ABAT SLC6A2 1969/4885SLC6A4 1320/4885SLC6A3 1214/4885
US-10436790-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals FUT5, FUT6, CSGALNACT1 SLC6A2 3463/4885SLC6A4 2656/4885SLC6A3 2130/4885

“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.