SCHEMBL3937622

SCHEMBL3937622

COCOc1cccc(OCOC)c1CN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
AOC3 Q16853 3/20 0.38
DPP4 P27487 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
IGF1R P08069 1/20 0.34
MET P08581 1/20 0.34
PDGFRB P09619 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.34

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
Hydrochloric Acid SCHEMBL10351315 0.98 AOC3 (0.40) PTPN1AOC3DPP4SMN1; SMN2KDM4E
SCHEMBL34462997 0.80 TAAR1 (0.49) SMN1; SMN2KDM4ETAAR1HTR2A
SCHEMBL29617909 0.78 PTPN1 (0.42) PTPN1SMN1; SMN2KDM4ECHEK1AURKA
SCHEMBL3934756 0.78 AOC3 (0.61) AOC3DPP4KDM4EHTR2AALDH1A1
SCHEMBL113737 0.78 CA1 (0.50) DPP4SMN1; SMN2KDM4ETAAR1ALDH1A1
SCHEMBL16274742 0.78 TAAR1 (0.46) PTPN1AOC3DPP4SMN1; SMN2KDM4E
SCHEMBL27885726 0.77 SMN1; SMN2 (0.44) DPP4SMN1; SMN2KDM4ETAAR1ALDH1A1
SCHEMBL31151088 0.77 PTPN1 (0.43) PTPN1SMN1; SMN2TAAR1HTR2A
SCHEMBL30741239 0.77 CA12 (0.48) PTPN1SMN1; SMN2KDM4EJAK2EGFR
SCHEMBL30741241 0.77 CA12 (0.48) PTPN1SMN1; SMN2KDM4EJAK2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4888283-A Selective inhibitors of benzylaminoxidases with respect to other aminoxidases CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1989-12-19 US claimed
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 EP disclosed
EP-1786792-B1 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2008-01-17 US disclosed
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 US disclosed
EP-1791835-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 US disclosed
US-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 US disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
WO-2006028269-A2 THIAZOLE DERIVATIVES HAVING VAP-1 IHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-03-16 WO disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 US disclosed
EP-0210140-B1 INHIBITORS OF BENZYLAMINOXIDASES, SELECTIVE WITH RESPECT TO OTHER AMINOXIDASES CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1990-06-13 EP disclosed
US-4888283-A Selective inhibitors of benzylaminoxidases with respect to other aminoxidases CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1989-12-19 US disclosed
EP-0210140-A2 Inhibitors of benzylaminoxidases, selective with respect to other aminoxidases CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1987-01-28 EP 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 (7 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB PTPN1 2962/4885AOC3 202/4885DPP4 1812/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 PTPN1 530/4885AOC3 782/4885DPP4 2729/4885
US-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA PTPN1 2040/4885AOC3 163/4885DPP4 4556/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 PTPN1 2760/4885AOC3 85/4885DPP4 1145/4885
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA PTPN1 651/4885AOC3 386/4885DPP4 1132/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 PTPN1 530/4885AOC3 782/4885DPP4 2729/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB PTPN1 1362/4885AOC3 590/4885DPP4 4182/4885

“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.