SCHEMBL4453572

SCHEMBL4453572

O=C(O)CNC(=O)c1cnccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 2/20 0.56
HPGD P15428 2/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2C9 P11712 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NAPRT Q6XQN6 1/20 0.55
HCAR2 Q8TDS4 1/20 0.55
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP3A4 P08684 1/20 0.52
PSMB11 A5LHX3 1/20 0.52
PSMA7 O14818 1/20 0.52
PSMB1 P20618 1/20 0.52
PSMA1 P25786 1/20 0.52
PSMA2 P25787 1/20 0.52

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
SCHEMBL22757714 0.94 ALDH1A1 (0.55) SMN1; SMN2KDM4EHPGDLMNACYP1A2
SCHEMBL25718613 0.84 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EHPGDLMNACYP1A2
SCHEMBL27890663 0.83 KDM4E (0.61) SMN1; SMN2KDM4EHPGDLMNACYP1A2
SCHEMBL31285763 0.80 KDM4E (0.67) SMN1; SMN2KDM4EHPGDLMNAKMT2A
SCHEMBL10674362 0.80 KDM4E (0.67) SMN1; SMN2KDM4EHPGDLMNACYP1A2
SCHEMBL10668907 0.80 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EHPGDLMNACYP1A2
SCHEMBL509136 0.80 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EHPGDLMNACYP1A2
SCHEMBL10671618 0.80 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EHPGDLMNACYP1A2
SCHEMBL2215871 0.80 KDM4E (0.67) SMN1; SMN2KDM4EHPGDLMNACYP1A2
SCHEMBL28092442 0.80 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EHPGDLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4079748-A1 MODULATORS OF SORTILIN ACTIVITY Insusense ApS (DK) 2022-10-26 EP disclosed
US-20160250237-A1 SOFT PROTEASE INHIBITORS AND PRO-SOFT FORMS THEREOF BACH BIOSCIENCES, LLC 2016-09-01 US disclosed
US-9192646-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2015-11-24 US disclosed
US-20150157684-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof BACH BIOSCIENCES, LLC 2015-06-11 US disclosed
US-8933056-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2015-01-13 US disclosed
US-20140128344-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof TRUSTEES OF TUFTS COLLEGE (US) 2014-05-08 US disclosed
US-8563533-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2013-10-22 US disclosed
US-20130150292-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof TRUSTEES OF TUFTS COLLEGE (US) 2013-06-13 US disclosed
US-8268880-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2012-09-18 US disclosed
US-20090124559-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof TRUSTEES OF TUFTS COLLEGE OFFICE OF TECHNOLOGY AND INDUSTRY COLLABORATION (US) 2009-05-14 US disclosed
US-20040127506-A1 Antimycobacterial compounds YATVIN MILTON B (US) 2004-07-01 US disclosed
US-6664257-B2 Such as derivatives of n-butyl-pyrazinamide for treatment of tuberculosis ENZREL INC. 2003-12-16 US disclosed
US-20030100569-A1 Anti-mycobacterial compounds ENZREL INC. 2003-05-29 US disclosed
WO-2003039457-A2 ANTI-MYCOBACTERIAL COMPOUNDS ENZREL, INC (US) 2003-05-15 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 (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-20130150292-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof PREP, DPP4, PEPD SMN1; SMN2 1442/4885KDM4E 478/4885HPGD 4011/4885
US-20040127506-A1 Antimycobacterial compounds IMMT, MT-ND5, ACAT1 SMN1; SMN2 4298/4885KDM4E 3140/4885HPGD 1377/4885
US-20090124559-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof PREP, DPP4, PEPD SMN1; SMN2 1442/4885KDM4E 478/4885HPGD 4011/4885
US-20160250237-A1 SOFT PROTEASE INHIBITORS AND PRO-SOFT FORMS THEREOF PREP, DPP4, PEPD SMN1; SMN2 1442/4885KDM4E 478/4885HPGD 4011/4885
US-20150157684-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof PREP, DPP4, PEPD SMN1; SMN2 1442/4885KDM4E 478/4885HPGD 4011/4885
US-20030100569-A1 Anti-mycobacterial compounds IMMT, PML, TBC1D5 SMN1; SMN2 4267/4885KDM4E 2628/4885HPGD 1292/4885
US-20140128344-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof PREP, DPP4, PEPD SMN1; SMN2 1442/4885KDM4E 478/4885HPGD 4011/4885

“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.