SCHEMBL3563890

SCHEMBL3563890

CCc1ccc(C(O)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 3/20 0.65
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
GAA P10253 1/20 0.53
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 3/20 0.52
PKM P14618 2/20 0.52
LMNA P02545 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
GFER P55789 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HDAC6 Q9UBN7 2/20 0.51
KDR P35968 2/20 0.50

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
SCHEMBL3334877 0.89 NPC1 (0.66) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL5677793 0.82 CHEK2 (0.62) CHEK2NPC1RAB9AGAAKDM4E
SCHEMBL3559345 0.82 KDM4E (0.69) CHEK2NPC1RAB9AGAAKDM4E
SCHEMBL5634593 0.81 CHEK2 (0.62) CHEK2NPC1RAB9AGAAKDM4E
SCHEMBL5189120 0.80 CHEK2 (0.69) CHEK2NPC1RAB9AGAAKDM4E
SCHEMBL5897852 0.79 CHEK2 (0.69) CHEK2NPC1RAB9AGAAKDM4E
SCHEMBL5677640 0.79 CHEK2 (1.00) CHEK2
SCHEMBL1381674 0.79 CHEK2 (0.84) CHEK2
SCHEMBL2617472 0.77 NPC1 (0.66) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL3333987 0.77 NPC1 (0.68) NPC1RAB9AGAAKDM4EALDH1A1

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-7687639-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-30 US disclosed
US-20060252793-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines BW CONVERTING AB (SE) 2006-11-09 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-20060252793-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDKN1A, DDB1, TMBIM6 CHEK2 14/4885NPC1 3612/4885RAB9A 3742/4885

“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.