SCHEMBL2570385

SCHEMBL2570385

CNCc1cccc(C(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.54
KDM1A O60341 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
F10 P00742 1/20 0.52
PARP1 P09874 7/20 0.52
MEP1B Q16820 1/20 0.51
IDH1 O75874 1/20 0.50
ENPP2 Q13822 1/20 0.49
VNN1 O95497 1/20 0.49
AURKA O14965 1/20 0.48
RPS6KB1 P23443 1/20 0.48
AURKB Q96GD4 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
PLA2G10 O15496 1/20 0.46
PLA2G2A P14555 1/20 0.46

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
Bromide SCHEMBL11878213 0.85 IDH1 (0.50) KDM1AMAOAMAOBF10PARP1
SCHEMBL805218 0.84 MEP1B (0.59) MEP1B
SCHEMBL30444058 0.84 MEP1B (0.59) MEP1B
SCHEMBL10131961 0.84 NOS1 (0.51) NOS1MAOBLOXL2
SCHEMBL13853740 0.83 F10 (0.54) KDM1AMAOAMAOBF10PARP1
SCHEMBL15272567 0.83 TAAR1 (0.53) PARP1MEP1BIDH1LOXL2
SCHEMBL2828029 0.83 F10 (0.57) KDM1AMAOAMAOBF10PARP1
SCHEMBL17672270 0.83 PLA2G2A (0.59) KDM1AMAOAMAOBF10PARP1
SCHEMBL751552 0.82 NR3C2 (0.55) PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL22083793 0.82 NOS1 (0.46) NOS1MEP1BLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1221524-C Diphenyl ether compounds for therapeutic use PFIZER LTD (US) 2005-10-05 CN claimed
CN-1419534-A Diphenyl ether compounds for therapeutic use PFIZER LTD (US) 2003-05-21 CN claimed
EP-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP disclosed
WO-2021050913-A1 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2021-03-18 WO disclosed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
EP-3016951-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
CN-103547567-B There is the Hedgelog protein antagonist of zinc bound fraction 柯瑞斯公司 2016-09-14 CN disclosed
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
WO-2012097013-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2012-07-19 WO disclosed
EP-2013183-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-11-02 EP disclosed
CN-101432268-A 4- (2-amino-1-hydroxyethyl) phenol derivatives as beta 2 adrenoreceptor agonists ALMIRALL LAB (ES) 2009-05-13 CN disclosed
US-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2009-03-26 US disclosed
US-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors MERCK PATENT GMBH (DE) 2009-02-05 US disclosed
EP-2013183-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR Laboratorios Almirall, S.A. (ES) 2009-01-14 EP disclosed
WO-2007124898-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS, ALMIRALL S.A. (ES) 2007-11-08 WO disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed
CN-1221524-C Diphenyl ether compounds for therapeutic use PFIZER LTD (US) 2005-10-05 CN disclosed
WO-2005090353-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-09-29 WO disclosed
CN-1419534-A Diphenyl ether compounds for therapeutic use PFIZER LTD (US) 2003-05-21 CN 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 (4 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-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 NOS1 167/4885KDM1A 410/4885MAOA 1038/4885
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 NOS1 4328/4885KDM1A 3551/4885MAOA 2448/4885
US-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB1 NOS1 1406/4885KDM1A 3048/4885MAOA 137/4885
US-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors CHEK2, CHEK1, SIK2 NOS1 1889/4885KDM1A 2138/4885MAOA 4864/4885

“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.