SCHEMBL18239808

SCHEMBL18239808

CNC(=O)NCCc1c(C)[nH]c2ccc(OCCOc3cnc(OC)c(F)c3)cc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.53
MTNR1B P49286 6/20 0.53
MAPT P10636 10/20 0.47
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 3/20 0.44
GAA P10253 3/20 0.44
POLB P06746 2/20 0.44
SPR P35270 1/20 0.43
ALOX12 P18054 2/20 0.43
HTR1D P28221 1/20 0.42
HTR6 P50406 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL18222514 0.86 MTNR1A (0.57) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL18239783 0.83 HTR1D (0.62) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL18239837 0.81 MTNR1A (0.78) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL18222541 0.81 MTNR1A (0.54) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL18222513 0.77 MTNR1A (0.50) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL18239879 0.76 MTNR1A (0.50) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL18239722 0.74 MTNR1A (0.66) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL18235623 0.72 HTR1D (0.59) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL18239716 0.71 MTNR1A (0.56) MTNR1AMTNR1BPOLBALDH1A1
SCHEMBL18222551 0.71 MTNR1A (0.68) MTNR1AMTNR1BPOLBALDH1A1

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 MTNR1A 1/4885MTNR1B 2/4885MAPT 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.