SCHEMBL6101637

SCHEMBL6101637

Cc1c(CCl)nc2ccc(Cl)cn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
GAA P10253 3/20 0.47
POLB P06746 2/20 0.47
PABPC1 P11940 1/20 0.43
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
MAP3K14 Q99558 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
BACE1 P56817 2/20 0.39
KDM4E B2RXH2 2/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC2A1 P11166 1/20 0.38
PSMD14 O00487 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL23655363 0.88 ALDH1A1 (0.46) ALDH1A1GAAPOLBPABPC1PIK3CD
SCHEMBL16462653 0.86 ALDH1A1 (0.48) ALDH1A1GAAPOLBPABPC1PIK3CD
SCHEMBL16462409 0.86 ALDH1A1 (0.48) ALDH1A1GAAPOLBPABPC1PIK3CD
SCHEMBL17810131 0.81 APP (0.32) ALDH1A1GAAPOLB
SCHEMBL22346510 0.81 PABPC1 (0.39) ALDH1A1GAAPOLBPABPC1PIK3CD
SCHEMBL13036621 0.79 ALDH1A1 (0.54) ALDH1A1GAAPOLBPIK3CDPIK3R1
SCHEMBL6101878 0.79 PABPC1 (0.56) ALDH1A1GAAPOLBPABPC1MEN1
SCHEMBL9924061 0.76 PIK3CD (0.49) ALDH1A1GAAPOLBPIK3CDPIK3R1
SCHEMBL25263244 0.76 ALDH1A1 (0.44) ALDH1A1GAAPOLBPIK3CDPIK3R1
SCHEMBL21772779 0.76 FADS1 (0.40) ALDH1A1GAAPOLBPABPC1CYP1A2

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-9556135-B2 Amino-dihydrothiazine and amino-dioxido dihydrothiazine compounds as beta-secretase antagonists and methods of use AMGEN, INC. (US) 2017-01-31 US disclosed
US-20150259308-A1 AMINO-DIHYDROTHIAZINE AND AMINO-DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE AMGEN INC. (US) 2015-09-17 US disclosed
US-20140107109-A1 AMINO-DIHYDROTHIAZINE AND AMINO-DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE AMGEN INC. 2014-04-17 US disclosed
WO-2014059185-A1 AMINO - DIHYDROTHIAZINE AND AMINO - DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE AMGEN INC. (US) 2014-04-17 WO disclosed
US-20060014746-A1 Heteroaryl substituted fused bicyclic heteroaryl compounds as GABAA receptor ligands NEUROGEN CORPORATION 2006-01-19 US disclosed
US-6936617-B2 Heteroaryl substituted fused bicyclic heteroaryl compound as GABAA receptor ligands NEUROGEN CORPORATION (US) 2005-08-30 US disclosed
EP-1406906-A1 HETEROARYL SUBSTITUTED FUSED BICYCLIC HETEROARYL COMPOUNDS AS GABAA RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2004-04-14 EP disclosed
US-20030207885-A1 Heteroaryl substituted fused bicyclic heteroaryl compound as GABAA receptor ligands NEUROGEN CORPORATION 2003-11-06 US disclosed
WO-2003006471-A1 HETEROARYL SUBSTITUTED FUSED BICYCLIC HETEROARYL COMPOUNDS AS GABAA RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2003-01-23 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 (4 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-20060014746-A1 Heteroaryl substituted fused bicyclic heteroaryl compounds as GABAA receptor ligands GABRA5, GABRA2, GABBR1 ALDH1A1 797/4885GAA 2647/4885POLB 4332/4885
US-20030207885-A1 Heteroaryl substituted fused bicyclic heteroaryl compound as GABAA receptor ligands GABRA5, GABRA2, GABBR1 ALDH1A1 553/4885GAA 2516/4885POLB 4266/4885
US-20140107109-A1 AMINO-DIHYDROTHIAZINE AND AMINO-DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE BACE1, BACE2, APP ALDH1A1 991/4885GAA 583/4885POLB 2251/4885
US-20150259308-A1 AMINO-DIHYDROTHIAZINE AND AMINO-DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE BACE1, BACE2, APP ALDH1A1 991/4885GAA 583/4885POLB 2251/4885

“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.