SCHEMBL2784166

SCHEMBL2784166

COc1ccc(C(=O)c2cccc(F)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
KDM4E B2RXH2 2/20 0.70
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
STS P08842 2/20 0.58
GAA P10253 3/20 0.58
LMNA P02545 2/20 0.56
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
HPGD P15428 2/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
POLB P06746 1/20 0.53
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53

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
SCHEMBL9520003 0.88 RAB9A (0.74) ALDH1A1KDM4ERAB9ANPC1STS
SCHEMBL10969744 0.88 ALDH1A1 (0.68) ALDH1A1RAB9ANPC1STSGAA
SCHEMBL5074999 0.84 TUBB4A (0.62) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL2303699 0.84 STS (0.72) ALDH1A1RAB9ANPC1STSGAA
SCHEMBL31286476 0.83 STS (0.62) ALDH1A1KDM4ERAB9ANPC1STS
SCHEMBL27399132 0.83 ALDH1A1 (0.62) ALDH1A1RAB9ANPC1STSGAA
SCHEMBL21605339 0.82 LMNA (0.66) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL1813422 0.82 LMNA (0.66) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL3038873 0.82 CES2 (0.63) ALDH1A1LMNAKMT2AHPGDMAPT
SCHEMBL1258944 0.82 CES2 (0.74) RAB9ANPC1KMT2AMEN1HPGD

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-2258694-A1 Amines as histamine-3 receptor ligands and their therapeutic applications Abbott Laboratories (US) 2010-12-08 EP disclosed
US-7538138-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2009-05-26 US disclosed
US-6969730-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2005-11-29 US disclosed
US-20050192277-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2005-09-01 US disclosed
EP-1370546-A2 NOVEL AMINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS Abbott Laboratories (US) 2003-12-17 EP disclosed
US-20020183309-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES 2002-12-05 US disclosed
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-11-14 US disclosed
WO-2002074758-A2 NOVEL AMINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-09-26 WO disclosed
EP-0860433-B1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES INHIBITING AUTOPHOSPHORYLATION OF GROWTH FACTOR RECEPTOR ORIGINATING IN PLATELET AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KIRIN BREWERY (JP) 2002-07-03 EP disclosed
US-6143764-A ETHER DERIVATIVES OF QUINOLINE, ANTITUMOR AGENTS KIRIN BEER KABUSHIKI KAISHA (JP) 2000-11-07 US disclosed
EP-0860433-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES INHIBITING AUTOPHOSPHORYLATION OF GROWTH FACTOR RECEPTOR ORIGINATING IN PLATELET AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 1998-08-26 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-20050192277-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH2 ALDH1A1 1131/4885KDM4E 2674/4885RAB9A 1117/4885
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 ALDH1A1 664/4885KDM4E 2796/4885RAB9A 1358/4885
US-20020183309-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 ALDH1A1 664/4885KDM4E 2796/4885RAB9A 1358/4885

“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.