SCHEMBL2900627

SCHEMBL2900627

CCOC(=O)c1cc2c(nc1NCCCOC)C(C)(C)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.44
PTGER4 P35408 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 2/20 0.40
PPARG P37231 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
KDM4E B2RXH2 9/20 0.38
HPGD P15428 4/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL2892901 0.87 KMT2A (0.36) ALDH1A1SMN1; SMN2KMT2AKDM4EHPGD
SCHEMBL2897363 0.77 TSHR (0.49) ALDH1A1SMN1; SMN2KMT2AKDM4EHPGD
SCHEMBL2902646 0.77 KDM4E (0.45) ALDH1A1SMN1; SMN2KMT2APPARGNCOR2
SCHEMBL2902560 0.77 KDM4E (0.45) ALDH1A1SMN1; SMN2KMT2APPARGNCOR2
SCHEMBL2897183 0.71 TSHR (0.48) ALDH1A1SMN1; SMN2KMT2APPARGNCOR2
SCHEMBL7913221 0.71 KDM4E (0.50) ALDH1A1SMN1; SMN2KMT2APPARGNCOR2
SCHEMBL2894612 0.70 KDM4E (0.49) ALDH1A1SMN1; SMN2KMT2APPARGNCOR2
SCHEMBL2894638 0.70 KDM4E (0.49) ALDH1A1SMN1; SMN2KMT2APPARGNCOR2
SCHEMBL9543871 0.70 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KMT2APPARGNCOR2
SCHEMBL31115367 0.68 NPSR1 (0.38) ALDH1A1SMN1; SMN2KMT2AKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2202228-B1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL (JP) 2014-12-10 EP disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 EP disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 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 (1 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-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME REN, ACE, AGT ALDH1A1 897/4885PTGER4 597/4885SMN1; SMN2 4704/4885

“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.