SCHEMBL2381941

SCHEMBL2381941

COc1ccc2oc3c(F)cc(Br)cc3c(=O)c2c1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.41
CYP1A1 P04798 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP1B1 Q16678 3/20 0.39
MAOA P21397 4/20 0.39
MGAM O43451 2/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CSNK2A2 P19784 2/20 0.38
CSNK2B P67870 2/20 0.38
CSNK2A1 P68400 2/20 0.38
HSD17B10 Q99714 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
SCHEMBL2383449 0.77 ALDH1A1 (0.42) GPR35MAOAMGAMALDH1A1MAPT
SCHEMBL2371483 0.73 NPC1 (0.46) MAOAPTGS2ALDH1A1MAPTCSNK2A2
SCHEMBL8515753 0.73 MAPT (0.50) GPR35MAOAMGAMALDH1A1MAPT
SCHEMBL2370587 0.73 MAPT (0.54) GPR35MAOAMGAMALDH1A1MAPT
SCHEMBL21327628 0.70 MAOA (0.52) CYP1A1CYP1A2CYP1B1MAOAALDH1A1
SCHEMBL12525253 0.68 MAOA (0.53) MAOAMGAMPTGS2ALDH1A1MAPT
SCHEMBL571194 0.67 NPC1 (0.55) MAOAPTGS2ALDH1A1MAPTCSNK2A2
SCHEMBL570364 0.67 NPC1 (0.55) MAOAPTGS2ALDH1A1MAPTCSNK2A2
SCHEMBL23259191 0.66 GAA (0.44) ALDH1A1MAPT
SCHEMBL15470534 0.65 GABRP (0.43) MAPTCSNK2A2CSNK2BCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883782-B2 Spiro-tetracyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-11-11 US disclosed
EP-2547685-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS Amgen Inc. (US) 2013-01-23 EP disclosed
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 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-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP GPR35 2172/4885CYP1A1 157/4885CYP1A2 377/4885

“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.