SCHEMBL2654543

SCHEMBL2654543

c1cc(-c2nccs2)cc(-n2cnc3cc(C4OCCO4)ccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.37
FGFR1 P11362 5/20 0.37
SRC P12931 1/20 0.37
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PRKDC P78527 1/20 0.35
PDPK1 O15530 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3R2 O00459 1/20 0.34

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
SCHEMBL2655889 0.87 HPGD (0.32) HPGDFGFR1SRCALDH1A1NPC1
SCHEMBL2655035 0.86 HPGD (0.38) HPGDFGFR1MAPTPDPK1GABRA1
SCHEMBL2643591 0.79 FGFR1 (0.41) HPGDFGFR1ALDH1A1NPC1RAB9A
SCHEMBL2655083 0.78 HPGD (0.38) HPGDFGFR1SRCALDH1A1NPC1
SCHEMBL2654495 0.77 FGFR1 (0.41) HPGDFGFR1SRCALDH1A1NPC1
SCHEMBL2655366 0.77 PDPK1 (0.40) HPGDFGFR1SRCALDH1A1NPC1
SCHEMBL2652183 0.77 LOXL2 (0.52) HPGDFGFR1ALDH1A1NPC1RAB9A
SCHEMBL2643675 0.77 GABRA1 (0.48) FGFR1PDPK1GABRA1GABRG2GABRB3
SCHEMBL2644317 0.77 FGFR1 (0.53) HPGDFGFR1ALDH1A1PDPK1GABRA1
SCHEMBL2643926 0.76 KDR (0.38) HPGDFGFR1ALDH1A1NPC1RAB9A

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-20060069135-A1 Benzimidazole derivatives and their use for modulating the gaba-a receptor complex NEUROSEARCH A/S (DK) 2006-03-30 US disclosed
EP-1613618-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA- sb A /sb RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-01-11 EP disclosed
WO-2004087690-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2004-10-14 WO disclosed
WO-2004087690-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-A 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-20060069135-A1 Benzimidazole derivatives and their use for modulating the gaba-a receptor complex GABRB2, GABRB1, GABRB3 HPGD 2466/4885FGFR1 3374/4885SRC 3558/4885

“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.