SCHEMBL17954145

SCHEMBL17954145

CC(F)(F)c1ccc2sc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAOB P27338 1/20 0.47
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CACNA2D1 P54289 2/20 0.46
CACNA1B Q00975 2/20 0.46
CACNB1 Q02641 2/20 0.46
CACNA1C Q13936 2/20 0.46
CACNA1A O00555 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NR2E1 Q9Y466 1/20 0.43

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
SCHEMBL17938614 0.92 CACNA2D1 (0.53) HRH4KMT2AMEN1MAOBDRD2
SCHEMBL16599004 0.84 DRD2 (0.46) HRH4MAOBDRD2DRD3MAPT
SCHEMBL17954144 0.84 HRH4 (0.56) HRH4KMT2AMEN1MAOBDRD2
SCHEMBL16598793 0.84 HRH4 (0.53) HRH4KMT2AMEN1MAOBDRD2
SCHEMBL16599230 0.83 HRH4 (0.67) HRH4KMT2AMEN1MAOBDRD2
SCHEMBL16598579 0.82 HRH4 (0.53) HRH4KMT2AMAOBDRD2DRD3
SCHEMBL16598757 0.82 HRH4 (0.53) HRH4KMT2AMEN1MAOBDRD2
SCHEMBL17954147 0.78 HRH4 (0.56) HRH4KMT2AMEN1MAOBDRD2
SCHEMBL17938617 0.75 HRH4 (0.53) HRH4KMT2AMAOBDRD2DRD3
SCHEMBL25539144 0.73 BCL2L1 (0.51)

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-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 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-20160214951-A1 EBI2 MODULATORS BIRC2, HAVCR2, MAVS HRH4 3590/4885KMT2A 1057/4885MEN1 2201/4885

“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.