SCHEMBL585072

SCHEMBL585072

CN(C(=O)O)c1ccc(NCC2CCOCC2)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.46
RORC P51449 2/20 0.40
CREBBP Q92793 1/20 0.38
KDM4C Q9H3R0 5/20 0.38
KDM6B O15054 2/20 0.38
KCNH3 Q9ULD8 1/20 0.37
CNR2 P34972 1/20 0.36
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
PLEC Q15149 1/20 0.36
BRD4 O60885 1/20 0.36
FYN P06241 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
SCHEMBL584616 0.91 PTGER4 (0.46) PTGER4RORCCREBBPKDM4CKDM6B
Hydrochloric Acid SCHEMBL3917055 0.90 PTGER4 (0.46) PTGER4RORCCREBBPKDM4CKDM6B
SCHEMBL4230564 0.88 PTGER4 (0.48) PTGER4CREBBPKDM4CLIPCLIPG
SCHEMBL584659 0.84 PTGER4 (0.45) PTGER4KDM4CLIPCLIPGKDM4E
SCHEMBL585142 0.83 HCAR3 (0.47) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL585141 0.83 HCAR3 (0.47) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL4966217 0.82 PTGER4 (0.47) PTGER4RORCCREBBPKDM4CKDM6B
SCHEMBL5434827 0.81 ALDH1A1 (0.38) PTGER4KDM4CKDM6BKDM4EALDH1A1
SCHEMBL4967122 0.80 PTGER4 (0.49) PTGER4CREBBPKDM4CCNR2LIPC
SCHEMBL4967688 0.79 RORC (0.45) PTGER4RORCCREBBPKCNH3CNR2

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
EP-1797077-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 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-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof RB1, CYP2C19, ADRB3 PTGER4 46/4885RORC 1350/4885CREBBP 996/4885

“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.