SCHEMBL6848952

SCHEMBL6848952

COc1ccc(Cn2nnnc2-c2ccccc2-c2ccc(C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ERCC5 P28715 1/20 0.51
FEN1 P39748 1/20 0.51
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.48
P2RX7 Q99572 6/20 0.48
PKM P14618 1/20 0.47
HSD11B1 P28845 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL12173023 0.91 ERCC5 (0.50) NPC1RAB9AMEN1KMT2AERCC5
SCHEMBL6847838 0.91 ERCC5 (0.53) NPC1RAB9AERCC5FEN1ALDH1A1
SCHEMBL12098938 0.91 ERCC5 (0.50) NPC1RAB9AMEN1KMT2AERCC5
SCHEMBL6850685 0.90 ERCC5 (0.49) NPC1RAB9AMEN1KMT2AERCC5
SCHEMBL27888913 0.88 ERCC5 (0.50) NPC1RAB9AMEN1KMT2AERCC5
SCHEMBL6360839 0.87 P2RX7 (0.62) KMT2AALDH1A1LMNAP2RX7NPSR1
SCHEMBL6357205 0.85 P2RX7 (0.62) ERCC5FEN1ALDH1A1TSHRGAA
SCHEMBL6847664 0.84 ERCC5 (0.52) NPC1RAB9AMEN1KMT2AERCC5
SCHEMBL6358318 0.83 P2RX7 (0.61) NPC1RAB9AERCC5FEN1ALDH1A1
SCHEMBL6361740 0.83 P2RX7 (0.65) NPC1RAB9AKMT2AERCC5FEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530506-B2 Process for production of biphenyl derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-09-10 US disclosed
US-8530506-B2 Process for production of biphenyl derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-09-10 US disclosed
US-8530506-B2 Process for production of biphenyl derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-09-10 US disclosed
EP-2502919-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2012-09-26 EP disclosed
EP-2502919-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2012-09-26 EP disclosed
US-20120232283-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-13 US disclosed
US-20120232283-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-13 US disclosed
US-20120232283-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-13 US disclosed
WO-2011061996-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE 田辺三菱製薬株式会社 (JP) 2011-05-26 WO 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-20120232283-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE AGTR2, AGTR1, ACE NPC1 3444/4885RAB9A 3098/4885MEN1 4281/4885

“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.