SCHEMBL4568178

SCHEMBL4568178

COC(=O)c1cccc(Cc2c(-c3cccnc3)[nH]c3cc(OC)ccc23)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP11B1 P15538 5/20 0.41
CYP11B2 P19099 5/20 0.41
CYP19A1 P11511 2/20 0.41
CYP2C9 P11712 1/20 0.41
NR4A2 P43354 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40

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
SCHEMBL4568496 0.92 MTNR1A (0.45) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL3709862 0.92 KDM4E (0.52) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL4568435 0.90 MTNR1A (0.41) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL4568492 0.90 MTNR1A (0.43) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL3706006 0.90 MTNR1A (0.48) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL4568192 0.90 KDM4E (0.42) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL11978667 0.88 MTNR1A (0.49) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL4568433 0.88 MAPK13 (0.42) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL11978660 0.88 MTNR1A (0.48) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL4568175 0.87 PTGS2 (0.42) MTNR1AMTNR1BKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R MTNR1A 19/4885MTNR1B 14/4885KDM4E 3521/4885

“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.