SCHEMBL2654019

SCHEMBL2654019

Nc1cc(Br)ccc1Nc1cccc(-c2cccnc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
MEN1 O00255 3/20 0.48
PSIP1 O75475 1/20 0.48
AXL P30530 1/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
EGFR P00533 2/20 0.45
FLT3 P36888 1/20 0.44
ABL1 P00519 2/20 0.43
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
BCR P11274 1/20 0.43
SRC P12931 1/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43

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
SCHEMBL14296921 0.86 EGFR (0.51) CYP11B1CYP11B2MEN1KMT2ANPC1
SCHEMBL22497669 0.83 HDAC1 (0.56) CYP11B1CYP11B2MEN1PSIP1AXL
SCHEMBL6799881 0.81 MEN1 (0.50) CYP11B1CYP11B2MEN1PSIP1AXL
SCHEMBL2647045 0.80 MEN1 (0.43) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL2654381 0.80 DHODH (0.47) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL2643439 0.79 NPC1 (0.53) MEN1KMT2ANPC1ABL1BCR
SCHEMBL2659734 0.79 ALDH1A1 (0.48) CYP11B1CYP11B2MEN1KMT2ANPC1
SCHEMBL9950077 0.75 GAA (0.52) MEN1KMT2ANPC1EGFRKDM4E
SCHEMBL4189083 0.75 MEN1 (0.57) CYP11B1CYP11B2MEN1PSIP1AXL
SCHEMBL22191343 0.75 KMT2A (0.46) CYP11B1CYP11B2MEN1KMT2ANPC1

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-7335777-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2008-02-26 US disclosed
US-7335777-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2008-02-26 US disclosed
US-7335777-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2008-02-26 US disclosed
EP-1613312-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA A RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2008-02-20 EP disclosed
EP-1613312-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA A RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2008-02-20 EP disclosed
US-20060148856-A1 Benzimidazole derivatives and their use for modulating the gabaa receptor complex ANIONA APS (DK) 2006-07-06 US disclosed
EP-1613312-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA sb A /sb RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-01-11 EP disclosed
WO-2004087137-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2004-10-14 WO disclosed
WO-2004087137-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2004-10-14 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-20060148856-A1 Benzimidazole derivatives and their use for modulating the gabaa receptor complex GABRB2, GABRB1, GABRB3 CYP11B1 116/4885CYP11B2 96/4885MEN1 4166/4885

“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.