SCHEMBL4189880

SCHEMBL4189880

C#CCOC(C)c1ccc2c(c1)ncn2-c1cccc(N2CCN(C(C)=O)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 14/20 0.43
ENPP2 Q13822 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
RAB9A P51151 1/20 0.39
FGFR1 P11362 2/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL2653663 0.89 HPGD (0.46) HPGDENPP2ALDH1A1SMN1; SMN2NPC1
SCHEMBL13917313 0.88 HPGD (0.44) HPGDENPP2ALDH1A1SMN1; SMN2NPC1
SCHEMBL2660361 0.86 HPGD (0.48) HPGDENPP2ALDH1A1SMN1; SMN2NPC1
SCHEMBL2653480 0.86 HPGD (0.48) HPGDENPP2ALDH1A1SMN1; SMN2NPC1
SCHEMBL2659359 0.84 HPGD (0.58) HPGDENPP2ALDH1A1SMN1; SMN2NPC1
SCHEMBL2654001 0.83 HPGD (0.50) HPGDENPP2ALDH1A1SMN1; SMN2NPC1
SCHEMBL2653778 0.77 HPGD (0.58) HPGDALDH1A1SMN1; SMN2NPC1GLA
SCHEMBL2653282 0.77 HPGD (0.46) HPGDALDH1A1SMN1; SMN2NPC1GLA
SCHEMBL2654063 0.77 HPGD (0.59) HPGDALDH1A1SMN1; SMN2NPC1GLA
SCHEMBL2650466 0.76 FGFR1 (0.65) HPGDALDH1A1SMN1; SMN2NPC1GLA

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-20090062304-A1 Benzimidazole derivatives and their use for modulating the gaba-alpha receptor complex NEUROSEARCH A/S (DK) 2009-03-05 US claimed
US-20090062304-A1 Benzimidazole derivatives and their use for modulating the gaba-alpha receptor complex NEUROSEARCH A/S (DK) 2009-03-05 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 (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-20090062304-A1 Benzimidazole derivatives and their use for modulating the gaba-alpha receptor complex GABRB1, GABRB2, GABRB3 HPGD 2480/4885ENPP2 2329/4885ALDH1A1 514/4885

“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.