SCHEMBL349277

SCHEMBL349277

COc1ccc(C(=O)c2cc(F)ccc2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.58
MAPT P10636 5/20 0.58
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 2/20 0.58
USP2 O75604 1/20 0.58
TP53 P04637 1/20 0.58
ALOX15 P16050 1/20 0.58
ALOX12 P18054 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MAOB P27338 1/20 0.56
ALDH1A1 P00352 5/20 0.55
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
MAPK1 P28482 2/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL6374455 0.87 MAPT (0.67) HTTMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL9721625 0.85 ALDH1A1 (0.61) HTTMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL31366500 0.83 NPC1 (0.53) HTTMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL11508307 0.83 NPC1 (0.53) HTTMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL9422057 0.83 RAB9A (0.54) HTTMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL348423 0.83 NPC1 (0.53) HTTMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5371452 0.83 NPC1 (0.59) HTTMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3638432 0.81 HPGD (0.72) HTTMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL24149128 0.81 MAPT (0.65) HTTMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL11309440 0.81 MAPT (0.70) HTTMAPTRAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719768-B1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2012-04-25 EP disclosed
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-19 US disclosed
EP-1535913-B1 NOVEL QUATERNARY AMMONIUM COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2011-11-02 EP disclosed
US-7973030-B2 Benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-07-05 US disclosed
US-7803792-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2010-09-28 US disclosed
US-7312208-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-12-25 US disclosed
US-20070203115-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-30 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
EP-1719768-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2006-11-08 EP disclosed
CN-1678597-A Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORP (JP) 2005-10-05 CN disclosed
EP-1535913-A1 NOVEL QUATERNARY AMMONIUM COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2005-06-01 EP 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 (3 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-20070203115-A1 Novel quaternary ammonium compounds SLC10A2, SLC10A1, ABCB11 HTT 2669/4885MAPT 2591/4885RAB9A 542/4885
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS SLC10A1, SREBF1, SPTLC1 HTT 4008/4885MAPT 2927/4885RAB9A 2920/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 HTT 3567/4885MAPT 2335/4885RAB9A 3675/4885

“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.