SCHEMBL5644665

SCHEMBL5644665

N[C@H]1C(=O)NCCS[C@H]1c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.43
IDO1 P14902 1/20 0.43
KDM1A O60341 1/20 0.43
MAP2K1 Q02750 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 3/20 0.34
MAPK1 P28482 3/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 2/20 0.34
BLM P54132 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TDP2 O95551 1/20 0.34
ALOX12 P18054 1/20 0.34
CASP3 P42574 1/20 0.34
GALK1 P51570 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
KDM4C Q9H3R0 1/20 0.34

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
Bromide SCHEMBL6207122 0.99 MTNR1A (0.43) MTNR1AIDO1KDM1AMAP2K1ALDH1A1
SCHEMBL4927692 0.76 MAP2K1 (0.43) KDM1AMAP2K1ALDH1A1HPGDHTT
SCHEMBL6239173 0.76 MAP2K1 (0.43) KDM1AMAP2K1ALDH1A1HPGDHTT
SCHEMBL14260861 0.76 MAP2K1 (0.43) KDM1AMAP2K1ALDH1A1HPGDHTT
SCHEMBL6239170 0.76 MAP2K1 (0.43) KDM1AMAP2K1ALDH1A1HPGDHTT
SCHEMBL6237415 0.75 MAP2K1 (0.35) MTNR1AIDO1KDM1AMAP2K1ALDH1A1
SCHEMBL6237420 0.73 MAP2K1 (0.42) MTNR1AIDO1MAP2K1ALDH1A1MAPT
SCHEMBL8796437 0.68 KDM1A (0.43) MTNR1AIDO1KDM1AALDH1A1MAPT
SCHEMBL27524328 0.67 IDO1 (0.54) MTNR1AIDO1KDM1AALDH1A1MAPT
SCHEMBL2656685 0.65 MTNR1A (0.42) MTNR1AIDO1KDM1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259163-B2 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as HCV inhibitors GLAXO GROUP LIMITED (GB) 2007-08-21 US disclosed
US-20050043390-A1 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as hcv inhibitors GLAXO GROUP LIMITED (GB) 2005-02-24 US 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-20050043390-A1 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as hcv inhibitors NR1H3, NR1H2, NR1I3 MTNR1A 347/4885IDO1 1531/4885KDM1A 1695/4885

“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.