SCHEMBL5882576

SCHEMBL5882576

COc1ccc(OC)c(C(Nc2ccc(C#N)cc2)C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MCL1 Q07820 1/20 0.47
LMNA P02545 2/20 0.43
ADRA1A P35348 2/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
CYP2D6 P10635 2/20 0.41
ALPL P05186 1/20 0.41
HTT P42858 1/20 0.40
ADRA2A P08913 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 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
SCHEMBL5882919 0.86 MEN1 (0.43) MEN1KMT2AMCL1LMNAMAPT
SCHEMBL5883488 0.85 MEN1 (0.42) MEN1KMT2AMCL1LMNAMAPT
SCHEMBL5881873 0.85 L3MBTL1 (0.43) KMT2AMAPTALDH1A1GAAKDM4E
SCHEMBL5881879 0.83 MEN1 (0.36) MEN1KMT2AMCL1TSHRMAPT
SCHEMBL5882837 0.82 MEN1 (0.45) MEN1KMT2AMCL1CYP1A2CYP2C19
SCHEMBL5883555 0.82 MEN1 (0.45) MEN1KMT2AMCL1LMNACYP1A2
SCHEMBL5883565 0.82 MMP2 (0.41) MEN1KMT2AMCL1LMNAMAPT
SCHEMBL5882650 0.81 MEN1 (0.44) MEN1KMT2AMCL1CYP1A2CYP2C19
SCHEMBL5882495 0.81 MEN1 (0.44) MEN1KMT2AMCL1CYP1A2CYP2C19
SCHEMBL5883116 0.81 MEN1 (0.47) MEN1KMT2AMCL1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071212-B2 N-(4-carbamimidoyl-phenyl)-glycine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
EP-1149069-B1 PHENYLGLYCINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2004-02-19 US disclosed
US-6683215-B2 TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION AND ARTERIOSCLEROSIS, WHICH ARE ASSOCIATED WITH COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA AND TISSUE FACTOR; ANTIINFLAMMATORY AGENTS HOFFMAN-LA ROCHE INC. 2004-01-27 US disclosed
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2003-05-01 US disclosed
US-6476264-B2 ANTICOAGULANT HOFFMANN-LA ROCHE INC. 2002-11-05 US disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 US disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 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 (3 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-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MEN1 604/4885KMT2A 3023/4885MCL1 2646/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MEN1 604/4885KMT2A 3023/4885MCL1 2646/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MEN1 604/4885KMT2A 3023/4885MCL1 2646/4885

“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.