SCHEMBL9949090

SCHEMBL9949090

CC#Cc1cccc(Br)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37
KMT2A Q03164 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRM1 Q13255 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
SCHEMBL5742391 0.84 GRM5 (0.43) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23075939 0.76 GRM5 (0.62) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23704126 0.75 GRM5 (0.39) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3508016 0.75 ASIC3 (0.39) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17039219 0.74 NOS3 (0.46) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23085539 0.74 SOS2 (0.40) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22846483 0.74 GRM5 (0.37) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9137033 0.74 GRM5 (0.37) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3669473 0.74 ALDH1A1 (0.37) GRM5ALDH1A1HPGD
SCHEMBL4260755 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165346-A1 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-20120165346-A1 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
WO-2012087236-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 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-20120165346-A1 Compounds and their use as BACE inhibitors BACE1, BACE2, PSEN1 GRM5 2739/4885NPC1 155/4885RAB9A 473/4885

“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.