SCHEMBL409441

SCHEMBL409441

CCNCc1cccc(C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.56
NOS1 P29475 3/20 0.48
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
GLA P06280 1/20 0.47
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
VNN1 O95497 3/20 0.45
DPP7 Q9UHL4 1/20 0.44
MEP1A Q16819 1/20 0.43
MEP1B Q16820 1/20 0.43
CYP19A1 P11511 2/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41

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
SCHEMBL3266433 0.83 SCN8A (0.65) SCN8ANOS1KDM1AMAOAMAOB
SCHEMBL320058 0.83 LOXL2 (0.59) SCN8ANOS1KDM1AMAOAMAOB
SCHEMBL30471916 0.83 LOXL2 (0.59) SCN8ANOS1KDM1AMAOAMAOB
SCHEMBL11922712 0.82 SCN8A (0.64) SCN8ANOS1MAOADPP7HRH3
SCHEMBL5909429 0.80 PARP1 (0.47) CYP19A1CYP1A2CYP2D6MAPTCYP2C19
SCHEMBL4934435 0.79 GLA (0.51) SCN8AGLAMEP1AMEP1BCYP19A1
SCHEMBL25588020 0.79 KDM1A (0.51) SCN8ANOS1KDM1AMAOAMAOB
SCHEMBL410123 0.79 SCN8A (0.57) SCN8ANOS1KDM1AMAOAMAOB
SCHEMBL2772974 0.79 SCN8A (0.64) SCN8ANOS1KDM1AMAOAMAOB
SCHEMBL126485 0.79 CYP2A6 (0.56) SCN8AKDM1AMAOAMAOBGLA

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-13 US disclosed
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-13 US disclosed
US-10772892-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2020-09-15 US disclosed
US-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-03-07 US disclosed
WO-2017191098-A1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-11-09 WO disclosed
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
EP-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 EP disclosed
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. 2016-06-09 US disclosed
CN-102803238-B Oxadiazole Derivatives MERCK SERONO S.A. (CH) 2015-09-30 CN disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
US-8802704-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-12 US disclosed
CN-102803238-A Oxadiazole derivatives MERCK SERONO SA 2012-11-28 CN disclosed
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 US disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
EP-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 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 (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-11673910-B2 Macrolides with modified desosamine sugars and uses thereof FUT6, DDOST, MGAM SCN8A 2438/4885NOS1 3624/4885KDM1A 2041/4885
US-10772892-B2 Bicyclic bromodomain inhibitors BRD4, BRD3, BRD2 SCN8A 3758/4885NOS1 4773/4885KDM1A 373/4885
US-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 SCN8A 4099/4885NOS1 1169/4885KDM1A 1720/4885
US-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB SCN8A 2544/4885NOS1 386/4885KDM1A 1673/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB SCN8A 2544/4885NOS1 386/4885KDM1A 1673/4885
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 SCN8A 3771/4885NOS1 4751/4885KDM1A 311/4885

“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.