SCHEMBL2900693

SCHEMBL2900693

CCOC(=O)c1cc2c(nc1NCc1ccco1)CCCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
RXFP1 Q9HBX9 1/20 0.57
KMT2A Q03164 5/20 0.56
PPARG P37231 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
KDM4E B2RXH2 11/20 0.54
MEN1 O00255 4/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
MAPT P10636 7/20 0.49
TSHR P16473 5/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HSD17B10 Q99714 4/20 0.48
HPGD P15428 2/20 0.48
REN P00797 3/20 0.48
TDP1 Q9NUW8 2/20 0.47

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
SCHEMBL2894300 0.99 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL2899726 0.85 REN (0.47) ALDH1A1SMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL2894496 0.84 REN (0.49) ALDH1A1SMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL2897183 0.84 TSHR (0.48) ALDH1A1SMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL2897363 0.82 TSHR (0.49) ALDH1A1SMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL9543871 0.76 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL2900125 0.74 TSHR (0.48) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL12991835 0.73 REN (0.69) REN
SCHEMBL7913070 0.73 KDM4E (0.75) ALDH1A1SMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL12991604 0.73 REN (0.68) REN

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 897/4885SMN1; SMN2 4704/4885NPC1 2175/4885

“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.