SCHEMBL4777931

SCHEMBL4777931

Cn1c(C=O)nc2c(Br)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.40
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 2/20 0.33
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BACE1 P56817 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL22894791 0.80 PDE10A (0.36) GRM2KDM4EALDH1A1HPGDMAPT
SCHEMBL6223662 0.80 ALDH1A1 (0.38) KDM4EALDH1A1HPGDMAPTNPC1
Hydrochloric Acid SCHEMBL5439722 0.78 PDE10A (0.34) GRM2KDM4EALDH1A1HPGDMAPT
SCHEMBL7876217 0.75 SMN1; SMN2 (0.50) GRM2ALDH1A1NPC1RAB9ABACE1
SCHEMBL31005200 0.74 MMP12 (0.47) GRM2BACE1HRH4
SCHEMBL18341299 0.74 MMP12 (0.47) GRM2BACE1HRH4
SCHEMBL4725204 0.73 KDM4E (0.39) GRM2KDM4EALDH1A1HPGDCYP1A2
SCHEMBL7894744 0.73 GRM2 (0.43) GRM2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL10644343 0.72 TLR8 (0.43) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL102893 0.72 KDM4E (0.64) KDM4EALDH1A1HPGDCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 GRM2 4477/4885KDM4E 2254/4885ALDH1A1 260/4885

“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.