SCHEMBL1761898

SCHEMBL1761898

COc1c(F)cc(F)cc1-c1cccc(-n2cnc3cc(C(=N)NO)ccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 0.43
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 7/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 1/20 0.40
THRB P10828 1/20 0.39
TP53 P04637 1/20 0.39
KDR P35968 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1761572 0.91 FGFR1 (0.44) FGFR1MAPK1SMN1; SMN2HPGDCYP1A2
SCHEMBL1761750 0.86 MAPK1 (0.44) FGFR1MAPK1SMN1; SMN2HPGDCYP1A2
SCHEMBL1761725 0.85 FGFR1 (0.54) FGFR1MAPK1SMN1; SMN2HPGDCYP1A2
SCHEMBL1761586 0.85 MAPK1 (0.44) FGFR1MAPK1SMN1; SMN2HPGDCYP1A2
SCHEMBL1761972 0.84 FGFR1 (0.45) FGFR1HPGDGABRA1GABRG2GABRB3
SCHEMBL1761907 0.84 GABRA1 (0.42) FGFR1MAPK1SMN1; SMN2HPGDCYP1A2
SCHEMBL1761666 0.83 FGFR1 (0.45) FGFR1MAPK1SMN1; SMN2HPGDCYP1A2
SCHEMBL1761922 0.82 THRB (0.46) FGFR1MAPK1SMN1; SMN2HPGDCYP1A2
SCHEMBL1761996 0.81 FGFR1 (0.44) FGFR1MAPK1SMN1; SMN2HPGDCYP1A2
SCHEMBL1761765 0.81 FGFR1 (0.49) FGFR1HPGDGABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA A/S (DK) 2011-05-19 US claimed
EP-2319837-A1 Benzimidazole derivatives and their use for modulating the GABAa receptor complex NeuroSearch AS (DK) 2011-05-11 EP claimed
US-20090036476-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA A/S (DK) 2009-02-05 US claimed
US-8288418-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2012-10-16 US disclosed
US-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA A/S (DK) 2011-05-19 US disclosed
EP-2319837-A1 Benzimidazole derivatives and their use for modulating the GABAa receptor complex NeuroSearch AS (DK) 2011-05-11 EP disclosed
US-7902230-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2011-03-08 US disclosed
US-20090036476-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA A/S (DK) 2009-02-05 US 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 (2 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-20090036476-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRB2, GABRB1, GABRB3 FGFR1 3907/4885MAPK1 3727/4885SMN1; SMN2 2881/4885
US-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRB2, GABRB1, GABRB3 FGFR1 3907/4885MAPK1 3727/4885SMN1; SMN2 2881/4885

“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.