SCHEMBL18239786

SCHEMBL18239786

CNC(=O)NCCc1c(C)n(S(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.56
PTGDR2 Q9Y5Y4 3/20 0.52
PTGDR Q13258 1/20 0.52
MTNR1A P48039 6/20 0.48
MTNR1B P49286 4/20 0.46
NQO2 P16083 1/20 0.45
PTGS2 P35354 2/20 0.44
PTGS1 P23219 1/20 0.44
MAPT P10636 1/20 0.44
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL18239754 0.90 HTR6 (0.57) HTR6PTGDR2PTGDRMTNR1AMTNR1B
SCHEMBL18222517 0.89 HTR6 (0.56) HTR6PTGDR2PTGDRMTNR1AMTNR1B
SCHEMBL18239707 0.87 PTGDR2 (0.51) HTR6PTGDR2PTGDRMAPTPOLB
SCHEMBL18239836 0.87 HTR6 (0.43) HTR6PTGDR2PTGDRMTNR1AMTNR1B
SCHEMBL18239791 0.83 PTGDR2 (0.40) HTR6PTGDR2PTGDRMTNR1APTGS2
SCHEMBL18239688 0.79 HTR6 (0.45) HTR6PTGDR2PTGDRMTNR1AMTNR1B
SCHEMBL4374944 0.79 HTR6 (0.60) HTR6PTGDR2PTGDRPTGS2PTGS1
SCHEMBL18239789 0.79 PTGDR2 (0.46) HTR6PTGDR2PTGDRMTNR1AMTNR1B
SCHEMBL18222515 0.79 PTGDR2 (0.48) HTR6PTGDR2PTGDRMTNR1AMTNR1B
SCHEMBL18800026 0.77 MTNR1A (0.51) MTNR1AMTNR1BNQO2PTGS2PTGS1

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
US-9637451-B2 Indole compound ASTELLAS PHARMA INC. (JP) 2017-05-02 US disclosed
EP-3095781-A1 INDOLE COMPOUND Astellas Pharma Inc. (JP) 2016-11-23 EP disclosed
US-20160332966-A1 INDOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2016-11-17 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-20160332966-A1 INDOLE COMPOUND MTNR1A, MTNR1B, IDO2 HTR6 129/4885PTGDR2 86/4885PTGDR 205/4885

“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.