SCHEMBL4568176

SCHEMBL4568176

COC(=O)c1cccc(Cc2c(-c3ccc(C)cc3)[nH]c3cc(OC)ccc23)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.41
MDM2 Q00987 1/20 0.41
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
CYP19A1 P11511 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGS2 P35354 1/20 0.40
PDE10A Q9Y233 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 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
SCHEMBL3706006 0.92 MTNR1A (0.48) MDM4MDM2MTNR1AMTNR1BKDM4E
SCHEMBL4568179 0.92 CYP19A1 (0.50) MTNR1AMTNR1BCYP19A1KDM4EALDH1A1
SCHEMBL4568187 0.92 CYP19A1 (0.50) MTNR1AMTNR1BCYP19A1KDM4EALDH1A1
SCHEMBL4568175 0.92 PTGS2 (0.42) MDM4MDM2MTNR1AMTNR1BKDM4E
SCHEMBL4568208 0.91 MDM4 (0.44) MDM4MDM2MTNR1AMTNR1BCYP19A1
SCHEMBL4568192 0.90 KDM4E (0.42) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL4568426 0.89 KDM4E (0.45) MTNR1AMTNR1BCYP19A1KDM4EALDH1A1
SCHEMBL4568421 0.89 KDM4E (0.46) MTNR1AMTNR1BCYP19A1KDM4EALDH1A1
SCHEMBL4568424 0.88 KDM4E (0.43) MTNR1AMTNR1BCYP19A1KDM4EALDH1A1
SCHEMBL4568098 0.87 MDM4 (0.53) MDM4MDM2KDM4EALDH1A1HSD17B10

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 MDM4 4719/4885MDM2 2739/4885MTNR1A 19/4885

“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.