SCHEMBL2654514

SCHEMBL2654514

Nc1cc(C2CC2)ccc1Nc1cccc(-c2nccs2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.42
CSNK2A2 P19784 1/20 0.41
EGFR P00533 1/20 0.40
HDAC2 Q92769 2/20 0.39
DHODH Q02127 6/20 0.38
PDPK1 O15530 1/20 0.38
CYP1A1 P04798 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP1B1 Q16678 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
SRC P12931 1/20 0.35

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
SCHEMBL2654360 0.86 EGFR (0.39) SYKCSNK2A2EGFRHDAC2PDPK1
SCHEMBL2656071 0.82 SYK (0.39) SYKCSNK2A2EGFRDHODH
SCHEMBL2668058 0.79 LOXL2 (0.44) SYKCSNK2A2EGFRHDAC2PDPK1
SCHEMBL2654381 0.78 DHODH (0.47) SYKEGFRHDAC2DHODHHDAC3
SCHEMBL7832478 0.77 MAPT (0.57) EGFRHDAC2SRC
SCHEMBL15606528 0.76 PDPK1 (0.58) SYKCSNK2A2EGFRPDPK1CYP1A1
SCHEMBL2655959 0.76 DHODH (0.40) DHODH
SCHEMBL2653252 0.74 SYK (0.41) SYKDHODHPRKCI
SCHEMBL5666528 0.72 PDPK1 (0.49) SYKHDAC2PDPK1HDAC4HDAC8
SCHEMBL2654853 0.70 L3MBTL1 (0.36) SYKCSNK2A2EGFR

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 5 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
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

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 SYK 3117/4885CSNK2A2 473/4885EGFR 1922/4885

“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.