SCHEMBL4399230

SCHEMBL4399230

CC(=O)NCCn1ccnc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
EGLN3 Q9H6Z9 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TBXAS1 P24557 4/20 0.50
QPCT Q16769 3/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
NAMPT P43490 1/20 0.47

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
SCHEMBL49130 0.90 L3MBTL1 (0.66) ALDH1A1L3MBTL1QPCTNPC1SMN1; SMN2
SCHEMBL17482346 0.88 L3MBTL1 (0.60) ALDH1A1L3MBTL1TBXAS1QPCTNPC1
SCHEMBL3051649 0.84 EGLN3 (0.59) ALDH1A1EGLN3L3MBTL1TBXAS1QPCT
SCHEMBL16798907 0.83 ALDH1A1 (0.49) ALDH1A1EGLN3L3MBTL1TBXAS1QPCT
SCHEMBL13853598 0.83 QPCT (0.55) ALDH1A1EGLN3L3MBTL1TBXAS1QPCT
SCHEMBL15014468 0.83 KDM4E (0.55) ALDH1A1EGLN3L3MBTL1TBXAS1QPCT
SCHEMBL16610099 0.82 EGLN3 (0.58) ALDH1A1EGLN3L3MBTL1TBXAS1NPC1
SCHEMBL15278202 0.81 ALDH1A1 (0.50) ALDH1A1EGLN3L3MBTL1TBXAS1QPCT
SCHEMBL13617262 0.81 L3MBTL1 (0.60) ALDH1A1EGLN3L3MBTL1TBXAS1QPCT
SCHEMBL10311722 0.81 QPCT (0.50) ALDH1A1EGLN3L3MBTL1TBXAS1QPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023072974-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-05-04 WO disclosed
WO-2021224291-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS MERCK PATENT GMBH (DE) 2021-11-11 WO disclosed
US-10927401-B2 Method for extracting substance from feces sample KEIO UNIVERSITY (JP) 2021-02-23 US disclosed
US-RE47493-E1 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-09 US disclosed
US-20180305736-A1 METHOD FOR EXTRACTING SUBSTANCE FROM FECES SAMPLE KEIO UNIVERSITY (JP) 2018-10-25 US disclosed
EP-3348988-A1 METHOD FOR EXTRACTING SUBSTANCE FROM FECES SAMPLE Keio University (JP) 2018-07-18 EP disclosed
US-9334289-B2 Cephem compound having catechol or pseudo-catechol structure SHIONOGI & CO., LTD. (JP) 2016-05-10 US disclosed
US-20160031854-A1 ACTIVATION OR REACTIVATION OF ACHE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-02-04 US disclosed
US-20160031854-A1 ACTIVATION OR REACTIVATION OF ACHE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-02-04 US disclosed
WO-2014210168-A1 ACTIVATION OR REACTIVATION OF ACHE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-12-31 WO disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US disclosed
US-20080153778-A1 N-aryl pyrazole compounds, compositions, and methods for their use AMGEN INC. 2008-06-26 US disclosed
US-20080153778-A1 N-aryl pyrazole compounds, compositions, and methods for their use AMGEN INC. 2008-06-26 US disclosed
WO-2008045484-A1 N-ARYL PYRAZOLE COMPOUNDS FOR USE AGAINST DIABETES AMGEN INC. (US) 2008-04-17 WO disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2007-02-08 US disclosed
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2007-02-08 US disclosed
US-20070015095-A1 Photothermographic material FUJI PHOTO FILM CO., LTD. 2007-01-18 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 (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-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase PIK3CA, PIP4K2C, PIP4K2B ALDH1A1 4104/4885EGLN3 2657/4885L3MBTL1 3671/4885
US-20080153778-A1 N-aryl pyrazole compounds, compositions, and methods for their use GLP1R, GPR119, NAT1 ALDH1A1 636/4885EGLN3 165/4885L3MBTL1 2416/4885
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS MET, DMPK, RET ALDH1A1 1341/4885EGLN3 1784/4885L3MBTL1 2309/4885
US-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 ALDH1A1 2926/4885EGLN3 110/4885L3MBTL1 2503/4885
US-20160031854-A1 ACTIVATION OR REACTIVATION OF ACHE ACHE, BCHE, CHAT ALDH1A1 1399/4885EGLN3 4820/4885L3MBTL1 1313/4885

“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.