SCHEMBL2902047

SCHEMBL2902047

O=C(c1cnc(-c2ccccc2)nc1NCc1ccco1)N1CCC(O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.52
MAPT P10636 10/20 0.47
KMT2A Q03164 7/20 0.47
HSD17B10 Q99714 5/20 0.47
TSHR P16473 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
F2 P00734 3/20 0.47
PDE5A O76074 2/20 0.47
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
CLK1 P49759 1/20 0.42
HBB P68871 1/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL2901133 0.90 REN (0.64) RENMAPTKMT2AHSD17B10TSHR
SCHEMBL2902331 0.89 REN (0.51) RENMAPTKMT2AHSD17B10TSHR
SCHEMBL2902262 0.82 PDE5A (0.58) RENMAPTKMT2AHSD17B10TSHR
SCHEMBL2898643 0.81 REN (0.70) RENMAPTKMT2AHSD17B10TSHR
SCHEMBL12991277 0.76 REN (0.51) RENHSD17B10CYP2C9CYP2C19
SCHEMBL2902623 0.75 REN (0.55) RENALDH1A1SMN1; SMN2MERTK
SCHEMBL2899833 0.75 REN (0.51) RENALDH1A1SMN1; SMN2FLT3TYRO3
SCHEMBL12991072 0.75 REN (0.54) RENALDH1A1SMN1; SMN2
SCHEMBL12991250 0.74 REN (0.50) RENHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL2903504 0.74 REN (0.53) RENALDH1A1SMN1; SMN2FLT3TYRO3

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 REN 1/4885MAPT 3228/4885KMT2A 1239/4885

“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.