SCHEMBL543700

SCHEMBL543700

CNC(=O)c1ccc(CC(OC)OC)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.44
PLK1 P53350 4/20 0.41
LNPEP Q9UIQ6 1/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
PLAU P00749 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL543687 0.85 KDM4E (0.55) SLC7A5LNPEPHPGDSMN1; SMN2KDM4E
SCHEMBL13841055 0.84 CCNC (0.51) SLC7A5PLK1SLC6A2SLC6A4SLC6A3
SCHEMBL3956859 0.84 MAPK1 (0.41) LNPEPSLC6A2SLC6A4SLC6A3HPGD
SCHEMBL10079433 0.81 ALDH1A1 (0.37) LNPEPHDAC8HPGDSMN1; SMN2HTT
SCHEMBL544786 0.79 PDK1 (0.47) SMN1; SMN2TSHRHTTALDH1A1MAPT
SCHEMBL31495814 0.79 PLAU (0.46) SLC7A5PLK1HDAC8PLAUHPGD
SCHEMBL4235473 0.74 KDM4E (0.51) SLC7A5LNPEPHPGDSMN1; SMN2TSHR
SCHEMBL29582662 0.72 PLAU (0.53) SLC7A5PLK1LNPEPHDAC8PLAU
SCHEMBL940919 0.72 PLAU (0.53) SLC7A5PLK1LNPEPHDAC8PLAU
SCHEMBL2303854 0.72 ALDH1A1 (0.69) PLK1SLC6A2SLC6A4SLC6A3PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110688-B2 Method for producing indole derivative having piperidine ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-07 US disclosed
US-8110688-B2 Method for producing indole derivative having piperidine ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-07 US disclosed
EP-1880995-B1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING EISAI R&D MAN CO LTD (JP) 2011-12-21 EP disclosed
US-20100197926-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
US-20100197926-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
EP-1880995-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING Eisai R&D Management Co., Ltd. (JP) 2008-01-23 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-20100197926-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING IDO2, IDO1, TPH2 SLC7A5 3976/4885PLK1 4336/4885LNPEP 4084/4885

“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.