SCHEMBL2976606

SCHEMBL2976606

CC(=O)NCc1ccc2c(c1)ncn2-c1cccc(COCc2ccnn2C)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 2/20 0.39
TP53 P04637 5/20 0.38
TDP1 Q9NUW8 1/20 0.38
FGFR1 P11362 3/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 1/20 0.37
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
RIPK1 Q13546 1/20 0.35
RIPK3 Q9Y572 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
SCHEMBL2968715 0.88 NPC1 (0.40) NPC1RAB9AKMT2ATP53TDP1
SCHEMBL2651809 0.86 FGFR1 (0.38) KMT2AFGFR1HPGDKITFLT3
SCHEMBL2653362 0.85 FGFR1 (0.39) FGFR1HPGDKITFLT3ALDH1A1
SCHEMBL2652490 0.85 PRKCI (0.40) FGFR1HPGDKITFLT3ALDH1A1
SCHEMBL2978335 0.84 NPC1 (0.40) NPC1RAB9AKMT2ATP53TDP1
SCHEMBL2659592 0.84 GAA (0.45) NPC1RAB9AKMT2ATP53TDP1
SCHEMBL2976344 0.83 NPC1 (0.42) NPC1RAB9AKMT2ATP53TDP1
SCHEMBL2969668 0.81 FGFR1 (0.46) KMT2AFGFR1HPGDALDH1A1
SCHEMBL2652175 0.81 HPGD (0.46) NPC1RAB9AKMT2ATP53TDP1
SCHEMBL2651652 0.79 GABRA1 (0.36) KMT2AFGFR1HPGD

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-7776900-B2 Benzimidazole derivatives and their use for modulating the GABAAreceptor complex NEUROSEARCH A/S (DK) 2010-08-17 US claimed
US-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex ANIONA APS (DK) 2009-01-29 US claimed
US-7776900-B2 Benzimidazole derivatives and their use for modulating the GABAAreceptor complex NEUROSEARCH A/S (DK) 2010-08-17 US disclosed
US-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex ANIONA APS (DK) 2009-01-29 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-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex GABRB2, GABRB1, GABRB3 NPC1 1736/4885RAB9A 3044/4885KMT2A 2084/4885

“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.