SCHEMBL640919

SCHEMBL640919

COC(=O)c1ccccc1-c1nc2ccccc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.69
RAB9A P51151 7/20 0.69
ALDH1A1 P00352 7/20 0.63
NPC1 O15118 7/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
HPGD P15428 4/20 0.63
PKM P14618 3/20 0.63
LMNA P02545 1/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
HTT P42858 2/20 0.60
MAPT P10636 2/20 0.60
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 4/20 0.55
GAA P10253 2/20 0.55
USP2 O75604 1/20 0.55
AMY1A P0DUB6 1/20 0.52
HSD17B10 Q99714 2/20 0.51

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
SCHEMBL30104672 0.85 PDE5A (0.63) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL26088586 0.85 PDE5A (0.63) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL11368836 0.83 KDM4E (0.70) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL1483159 0.83 KDM4E (0.48) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL10085609 0.82 KDM4E (0.64) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL3164011 0.82 KDM4E (1.00) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL31311065 0.82 KDM4E (1.00) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
Water SCHEMBL10826229 0.82 RHEB (0.61) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL27312758 0.81 KDM4E (0.57) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL3698974 0.81 RAB9A (0.75) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119675-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2012-02-21 US disclosed
US-8119675-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2012-02-21 US disclosed
US-20100016372-A1 Benzimidazole Derivatives MERCK PATENT GMBH (DE) 2010-01-21 US disclosed
US-20100016372-A1 Benzimidazole Derivatives MERCK PATENT GMBH (DE) 2010-01-21 US disclosed
WO-2008101586-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2008-08-28 WO disclosed
US-20030104473-A1 Common ligand mimics: benzimidazoles TRIAD THERAPEUTICS, INC. 2003-06-05 US disclosed
US-4623379-A Plant growth and development modification using 2-(2-oxycarbonylphenyl)benzimidazole derivatives FMC CORPORATION (US) 1986-11-18 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-20030104473-A1 Common ligand mimics: benzimidazoles BID, LIFR, FGFR3 KDM4E 2634/4885RAB9A 4667/4885ALDH1A1 1847/4885
US-20100016372-A1 Benzimidazole Derivatives GPR119, GLP1R, H1-3 KDM4E 1159/4885RAB9A 484/4885ALDH1A1 1591/4885

“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.