SCHEMBL18239709

SCHEMBL18239709

CC(=O)NCCc1c(C)n(S(=O)(=O)c2ccc(C)cc2)c2cc(F)c(OCCBr)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.44
PTGDR Q13258 4/20 0.38
MAPT P10636 2/20 0.37
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
GFER P55789 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
NQO2 P16083 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL18239866 0.90 PTGDR2 (0.43) PTGDR2PTGDRMAPTPSEN1PSEN2
SCHEMBL18239765 0.88 PTGDR2 (0.48) PTGDR2PTGDRMAPTNQO2MTNR1A
SCHEMBL18239708 0.86 PTGDR2 (0.40) PTGDR2PTGDRMAPTPSEN1PSEN2
SCHEMBL18239839 0.86 PTGDR2 (0.40) PTGDR2PTGDRMAPTPSEN1PSEN2
SCHEMBL18239803 0.85 PTGDR2 (0.41) PTGDR2PTGDRMAPTPSEN1PSEN2
SCHEMBL18239789 0.85 PTGDR2 (0.46) PTGDR2PTGDRMAPTPSEN1PSEN2
SCHEMBL18239705 0.84 PTGDR2 (0.50) PTGDR2PTGDRMAPTPSEN1PSEN2
SCHEMBL18222505 0.83 HTR6 (0.43) MEN1KMT2ANQO2MTNR1AMTNR1B
SCHEMBL18800085 0.78 HTR2B (0.39) GFERNQO2MTNR1AMTNR1BHTR2B
SCHEMBL18222559 0.77 PTGDR2 (0.53) PTGDR2PTGDRMAPTGFERMEN1

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-9637451-B2 Indole compound ASTELLAS PHARMA INC. (JP) 2017-05-02 US 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 PTGDR2 86/4885PTGDR 205/4885MAPT 887/4885

“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.