SCHEMBL4568435

SCHEMBL4568435

COC(=O)c1cccc(Cc2c(-c3cncc(OC)c3)[nH]c3cc(OC)ccc23)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 4/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.39
ALOX15 P16050 2/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
JAK2 O60674 1/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP19A1 P11511 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL4568433 0.92 MAPK13 (0.42) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL4568543 0.92 GPR17 (0.41) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL4568192 0.91 KDM4E (0.42) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL4568178 0.90 MTNR1A (0.53) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL3706006 0.89 MTNR1A (0.48) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL4568176 0.87 MDM4 (0.41) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL4568421 0.87 KDM4E (0.46) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL4568175 0.86 PTGS2 (0.42) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL4568179 0.86 CYP19A1 (0.50) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL4568187 0.86 CYP19A1 (0.50) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10

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-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.