SCHEMBL13183290

SCHEMBL13183290

CN1CCc2c1ccc1[nH]c(C(=O)N3CCc4c3ccc3[nH]c(C(=O)Oc5c(F)c(F)cc(F)c5F)cc43)cc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.39
RAB9A P51151 3/20 0.39
POLB P06746 3/20 0.39
NPC1 O15118 3/20 0.38
MAPT P10636 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BTK Q06187 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL13183208 0.93 HRH4 (0.39) HRH4POLBKDM4EALDH1A1ALOX15
SCHEMBL889791 0.91 RAB9A (0.39) HRH4RAB9APOLBNPC1MAPT
SCHEMBL13783567 0.91 RAB9A (0.39) HRH4RAB9APOLBNPC1MAPT
SCHEMBL20764182 0.88 HRH4 (0.41) HRH4POLBKDM4EALDH1A1ALOX15
SCHEMBL14356126 0.87 RAB9A (0.37) HRH4RAB9APOLBNPC1MAPT
SCHEMBL20764389 0.86 RAB9A (0.41) HRH4RAB9APOLBNPC1MAPT
SCHEMBL3494654 0.86 HRH4 (0.35) HRH4RAB9APOLBNPC1MAPT
SCHEMBL15031239 0.85 RAB9A (0.43) HRH4RAB9APOLBNPC1MAPT
SCHEMBL20764323 0.83 HRH4 (0.46) HRH4RAB9APOLBNPC1MEN1
SCHEMBL888599 0.83 GPR119 (0.39) HRH4MAPT

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-7794945-B2 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders ELITECH HOLDING B.V. (NL) 2010-09-14 US disclosed
US-20090048427-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS EPOCH BIOSCIENCES, INC. (US) 2009-02-19 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-20090048427-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS DDB1, LIG3, MSH2 HRH4 1343/4885RAB9A 4496/4885POLB 14/4885

“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.