SCHEMBL13220613

SCHEMBL13220613

CCOC(=O)c1ccc(Nc2cccc(CO)c2)c(N=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 6/20 0.50
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 4/20 0.46
KDM4E B2RXH2 1/20 0.46
CDC25A P30304 1/20 0.45
CDC25C P30307 1/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.41
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL2653262 0.84 CDC25B (0.58) CDC25BRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL2653630 0.81 KMT2A (0.60) CDC25BRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL14315827 0.80 CA12 (0.54) CDC25BRAB9AMAPTTP53KMT2A
SCHEMBL128387 0.75 CYP4F2 (0.72) RAB9ASMN1; SMN2NPC1KDM4ECYP4F2
SCHEMBL19245018 0.71 CDC25B (0.57) CDC25BRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL2668062 0.70 GAA (0.45) CDC25BRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL1996600 0.70 CYP4F2 (0.61) RAB9ASMN1; SMN2NPC1CYP4F2CYP4A11
SCHEMBL28141853 0.70 RAB9A (0.67) CDC25BRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL4729076 0.69 BCL2 (0.57) RAB9ASMN1; SMN2NPC1KDM4ECYP4F2
SCHEMBL13823651 0.69 KMT2A (0.62) RAB9ASMN1; SMN2NPC1KDM4EMAPT

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-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 CDC25B 4130/4885RAB9A 3044/4885SMN1; SMN2 2658/4885

“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.