SCHEMBL9890742

SCHEMBL9890742

COc1cccc(-c2ccccc2CC(N)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.50
MTNR1B P49286 1/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ICMT O60725 2/20 0.48
PLA2G10 O15496 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.47
SLC9A1 P19634 2/20 0.46
PARP1 P09874 1/20 0.46
HTR7 P34969 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MCL1 Q07820 1/20 0.45
BAD Q92934 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
IKBKB O14920 1/20 0.45
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL9890750 0.83 MTNR1A (0.54) MTNR1AMTNR1BLMNAALDH1A1MAPT
SCHEMBL8643629 0.82 HTR7 (0.52) MTNR1AMTNR1BLMNAALDH1A1MAPT
SCHEMBL2394222 0.82 PTGDR2 (0.51) PTGDR2
SCHEMBL28451933 0.81 PTGER4 (0.60) ICMT
SCHEMBL9890726 0.81 PLA2G10 (0.52) MTNR1AMTNR1BLMNAALDH1A1MAPT
SCHEMBL6098745 0.80 PTGER4 (0.62) ICMTMAPK1KMT2A
SCHEMBL8279410 0.80 MGAT2 (0.57) LMNAALDH1A1MAPTHSD17B10HTR7
Hydrochloric Acid SCHEMBL12490805 0.79 MGAT2 (0.56) LMNAALDH1A1MAPTHSD17B10HTR7
SCHEMBL22189987 0.79 MAPK1 (0.54) LMNAALDH1A1MAPTHSD17B10PTGDR2
SCHEMBL22189985 0.79 MAPK1 (0.54) LMNAALDH1A1MAPTHSD17B10PTGDR2

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-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-06-07 US disclosed
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 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 (2 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-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 MTNR1A 376/4885MTNR1B 309/4885LMNA 3980/4885
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 MTNR1A 376/4885MTNR1B 309/4885LMNA 3980/4885

“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.