SCHEMBL1309768

SCHEMBL1309768

COc1c(Cl)cc2[nH]c(Br)c(CCNC(C)=O)c2c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.57
MTNR1B P49286 14/20 0.57
NQO2 P16083 2/20 0.47
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
SLC6A4 P31645 1/20 0.44
THPO P40225 1/20 0.44
HTR2B P41595 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.44
TSHR P16473 1/20 0.42
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 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
SCHEMBL1310030 0.81 MTNR1A (0.66) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL1309396 0.77 MTNR1A (0.67) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL26989677 0.74 MTNR1A (0.58) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL1309348 0.73 MTNR1A (1.00) MTNR1AMTNR1BNQO2HSD17B10TP53
SCHEMBL1308837 0.72 MTNR1A (0.57) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL8822696 0.72 MTNR1A (0.48) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL4393644 0.71 MTNR1A (1.00) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL1311849 0.71 MTNR1A (1.00) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL1308979 0.70 MTNR1A (0.66) MTNR1AMTNR1BNQO2HSD17B10TP53
SCHEMBL1311781 0.70 KDM4E (0.49) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6

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-8053462-B2 Indole derivative and application thereof SOMEI MASANORI 2011-11-08 US disclosed
US-8053462-B2 Indole derivative and application thereof SOMEI MASANORI 2011-11-08 US disclosed
US-8053462-B2 Indole derivative and application thereof SOMEI MASANORI 2011-11-08 US disclosed
US-20070197629-A1 Indole derivative and application thereof SOMEI MASANORI 2007-08-23 US disclosed
US-20070197629-A1 Indole derivative and application thereof SOMEI MASANORI 2007-08-23 US disclosed
US-20070197629-A1 Indole derivative and application thereof SOMEI MASANORI 2007-08-23 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-20070197629-A1 Indole derivative and application thereof ARL1, IDO1, AIPL1 MTNR1A 143/4885MTNR1B 287/4885NQO2 2397/4885

“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.