SCHEMBL2902646

SCHEMBL2902646

CCOC(=O)c1cc2c(nc1Cl)C(C)(C)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 7/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 2/20 0.42
CASP1 P29466 1/20 0.41
KMT2A Q03164 2/20 0.41
PPARG P37231 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
CASP3 P42574 1/20 0.39
ATM Q13315 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
HSP90AA1 P07900 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 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
SCHEMBL2894612 0.92 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2902560 0.87 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7913221 0.81 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2894638 0.80 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL25213059 0.79 POLB (0.38) CASP1LMNA
SCHEMBL2900627 0.77 ALDH1A1 (0.44) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2899648 0.76 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2897233 0.75 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8832491 0.74 CASP1 (0.49) KDM4EALDH1A1NPC1CASP1MAPK1
SCHEMBL2897363 0.73 TSHR (0.49) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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 KDM4E 1257/4885ALDH1A1 897/4885SMN1; 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.