SCHEMBL489018

SCHEMBL489018

OCCc1nc2ccc(Br)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
DYRK1A Q13627 1/20 0.47
APP P05067 3/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
AKR1B1 P15121 2/20 0.44
PPARA Q07869 2/20 0.43
HDAC6 Q9UBN7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
CLK1 P49759 1/20 0.40

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
SCHEMBL489036 0.87 TRPV1 (0.48) RAB9ANPC1DYRK1AHTTMEN1
SCHEMBL27038236 0.86 RAB9A (0.50) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL28125063 0.83 HDAC6 (0.53) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL24330810 0.81 HDAC6 (0.68) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL9320873 0.81 RAB9A (0.49) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL5946306 0.80 APP (0.49) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL28125064 0.80 APP (0.46) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL6273815 0.79 RAB9A (0.63) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL20509831 0.79 UBE2T (0.58) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL31003075 0.79 RAB9A (0.63) RAB9ANPC1CYP1A2CYP3A4CYP2C9

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021139814-A1 QUINOLINE IMIDAZOLE COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2021-07-15 WO disclosed
US-20190315731-A1 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS, LTD. (CH) 2019-10-17 US disclosed
EP-3221300-B1 ANTIBACTERIAL BENZOTHIAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-03-20 EP disclosed
US-20170355687-A1 ANTIBACTERIAL BENZOTHIAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-12-14 US disclosed
US-20120108637-A1 Fused Bicyclic-Substituted Amines as Histamine-3 Receptor Ligands ABBOTT LABORATORIES (US) 2012-05-03 US disclosed
US-20120108637-A1 Fused Bicyclic-Substituted Amines as Histamine-3 Receptor Ligands ABBOTT LABORATORIES (US) 2012-05-03 US disclosed
US-20120108637-A1 Fused Bicyclic-Substituted Amines as Histamine-3 Receptor Ligands ABBOTT LABORATORIES (US) 2012-05-03 US disclosed
US-8106088-B2 Fused bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2012-01-31 US disclosed
US-8106088-B2 Fused bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2012-01-31 US disclosed
US-8106088-B2 Fused bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2012-01-31 US disclosed
US-7358263-B2 Fused bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2008-04-15 US disclosed
US-7358263-B2 Fused bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2008-04-15 US disclosed
US-7358263-B2 Fused bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2008-04-15 US disclosed
US-7094790-B2 Fused bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2006-08-22 US disclosed
US-20060142325-A1 Fused bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2006-06-29 US disclosed
EP-1620434-A1 FUSED BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS Abbott Laboratories (US) 2006-02-01 EP disclosed
US-20040248899-A1 Fused bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2004-12-09 US disclosed
WO-2004101559-A1 FUSED BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2004-11-25 WO disclosed
US-20040224953-A1 e.g., 4-{2-[2-(2-(R)-Methyl-pyrrolidin-1-yl)-ethyl]-benzothiazol-5-yl}-benzonitrile; useful for treating conditions and disorders related to memory and cognition processes, neurological processes, cardiovascular function, and body weight. ABBOTT LABORATORIES 2004-11-11 US disclosed
US-20040224952-A1 Fused bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES 2004-11-11 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 (7 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-20190315731-A1 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES TMBIM6, BTN3A1, BET1 RAB9A 1760/4885NPC1 790/4885CYP1A2 920/4885
US-20040248899-A1 Fused bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 RAB9A 1268/4885NPC1 850/4885CYP1A2 1294/4885
US-20040224953-A1 e.g., 4-{2-[2-(2-(R)-Methyl-pyrrolidin-1-yl)-ethyl]-benzothiazol-5-yl}-benzonitrile; useful for treating conditions and disorders related to memory and cognition processes, neurological processes, cardiovascular function, and body weight. HRH4, HRH3, HRH2 RAB9A 2349/4885NPC1 1618/4885CYP1A2 1602/4885
US-20060142325-A1 Fused bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH2 RAB9A 1087/4885NPC1 1140/4885CYP1A2 1772/4885
US-20120108637-A1 Fused Bicyclic-Substituted Amines as Histamine-3 Receptor Ligands HRH3, HRH4, HRH2 RAB9A 1087/4885NPC1 1140/4885CYP1A2 1772/4885
US-20040224952-A1 Fused bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 RAB9A 1268/4885NPC1 850/4885CYP1A2 1294/4885
US-20170355687-A1 ANTIBACTERIAL BENZOTHIAZOLE DERIVATIVES CYP8B1, TUBB, DRD3 RAB9A 1127/4885NPC1 2923/4885CYP1A2 652/4885

“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.