SCHEMBL6556286

SCHEMBL6556286

C[C@@H](CN1C(=O)c2ccccc2C1=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
DAO P14920 1/20 0.47
ALDH1A1 P00352 4/20 0.47
CASP3 P42574 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
MAPK1 P28482 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TAAR1 Q96RJ0 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GFER P55789 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL10722361 1.00 KMT2A (0.50) KMT2ADAOALDH1A1CASP3CA12
SCHEMBL14928651 1.00 KMT2A (0.50) KMT2ADAOALDH1A1CASP3CA12
SCHEMBL12431379 0.91 DAO (0.46) KMT2ADAOALDH1A1NPSR1TAAR1
SCHEMBL2564113 0.86 CASP3 (0.53) KMT2AALDH1A1CASP3
SCHEMBL2564111 0.86 CASP3 (0.53) KMT2AALDH1A1CASP3
SCHEMBL15842484 0.82 HDAC7 (0.47) KMT2ACASP3
SCHEMBL14928667 0.82 HTT (0.46) KMT2AALDH1A1MAPK1KDM4E
SCHEMBL11779775 0.82 ALDH1A1 (0.53) KMT2AALDH1A1CASP3CA12CA9
SCHEMBL6556194 0.81 SCN2A (0.51) KMT2AALDH1A1CA12CA9KDM4E
SCHEMBL14928818 0.80 ALDH1A1 (0.41) KMT2AALDH1A1CASP3CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20040235957-A1 Use of sulfonamide derivatives as pharmaceuticals compounds BLEAKMAN DAVID (US) 2004-11-25 US disclosed
US-6803484-B2 Sulfonamide derivatives ELI LILLY AND COMPANY 2004-10-12 US disclosed
US-20040143020-A1 Sulfonamide derivatives AIKINS JAMES ABRAHAM (US) 2004-07-22 US disclosed
EP-1438036-A2 USE OF SULFONAMIDE DERIVATIVES AS PHARMACEUTICALS COMPOUNDS ELI LILLY AND COMPANY (US) 2004-07-21 EP disclosed
US-6720357-B2 TREATMENT OF CONDITIONS ASSOCIATED WITH GLUTAMATE HYPOFUNCTION, SUCH AS PSYCHIATRIC AND NEUROLOGICAL DISORDERS; N-2-(4-N-(3,5-DIFLUOROBENZAMIDO)PHENYL)PROPYL-2-PROPANESULFONAMIDE ELI LILLY AND COMPANY 2004-04-13 US disclosed
EP-1390072-A2 USE OF AN AMPA RECEPTOR POTENTIATOR FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF TYPE 2 DIABETES ELI LILLY AND COMPANY (US) 2004-02-25 EP disclosed
US-20030233015-A1 Sulfonamide derivatives ELI LILLY AND COMPANY 2003-12-18 US disclosed
EP-1311474-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2003-05-21 EP disclosed
US-20030092770-A1 Combination therapy for treatment of depression ELI LILLY AND COMPANY 2003-05-15 US disclosed
WO-2003032974-A2 USE OF SULFONAMIDE DERIVATIVES AS PHARMACEUTICALS COMPOUNDS ELI LILLY AND COMPANY (US) 2003-04-24 WO disclosed
EP-1296944-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2003-04-02 EP disclosed
EP-1292311-A2 COMBINATION THERAPY FOR THE TREATMENT OF DEPRESSION COMPRISING AN ANTIDEPRESSANT AND AN AMPA RECEPTOR POTENTIATOR ELI LILLY AND COMPANY (US) 2003-03-19 EP disclosed
WO-2002089848-A2 USE OF AN AMPA RECEPTOR POTENTIATOR FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF TYPE 2 DIABETES ELI LILLY AND COMPANY (US) 2002-11-14 WO disclosed
WO-2001089530-A2 COMBINATION THERAPY FOR TREATMENT OF DEPRESSION COMPRISING AN ANTIDEPRESSANT AND AN AMPA RECEPTOR POTENTIATOR ELI LILLY AND COMPANY (US) 2001-11-29 WO disclosed
WO-2001089510-A2 USE OF AN AMPA RECEPTOR POTENTIATOR FOR THE TREATMENT OF OBESITY ELI LILLY AND COMPANY (US) 2001-11-29 WO disclosed
WO-2001090057-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-11-29 WO disclosed
WO-2001090056-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-11-29 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 (5 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK KMT2A 1162/4885DAO 3105/4885ALDH1A1 1638/4885
US-20030233015-A1 Sulfonamide derivatives GRIN2A, GRIN1, SLC1A2 KMT2A 597/4885DAO 773/4885ALDH1A1 185/4885
US-20040143020-A1 Sulfonamide derivatives GRIN2A, GRIN2B, SLC1A2 KMT2A 515/4885DAO 684/4885ALDH1A1 287/4885
US-20030092770-A1 Combination therapy for treatment of depression GRM2, GRIK2, GRIN2A KMT2A 1214/4885DAO 804/4885ALDH1A1 1232/4885
US-20040235957-A1 Use of sulfonamide derivatives as pharmaceuticals compounds GABRE, SCN2A, SCN1A KMT2A 664/4885DAO 769/4885ALDH1A1 1326/4885

“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.