SCHEMBL12333386

SCHEMBL12333386

CCc1ccccc1C(=O)NCCCN1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
ALDH1A1 P00352 5/20 0.64
KDM4E B2RXH2 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
BCL3 P20749 1/20 0.62
TSHR P16473 2/20 0.59
HPGD P15428 1/20 0.59
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
HSD17B10 Q99714 1/20 0.59
LMNA P02545 2/20 0.59
GAA P10253 2/20 0.58
GLA P06280 1/20 0.58

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
SCHEMBL2362567 0.86 POLB (0.66) POLBALDH1A1KDM4ESMN1; SMN2BCL3
SCHEMBL7526242 0.84 POLB (0.66) POLBALDH1A1KDM4ESMN1; SMN2BCL3
SCHEMBL7638428 0.83 POLB (0.55) POLBALDH1A1KDM4ESMN1; SMN2BCL3
SCHEMBL12305552 0.83 POLB (0.62) POLBALDH1A1KDM4ESMN1; SMN2BCL3
Hydrochloric Acid SCHEMBL7641302 0.82 POLB (0.54) POLBALDH1A1KDM4ESMN1; SMN2BCL3
SCHEMBL10352602 0.82 POLB (0.65) POLBALDH1A1KDM4ESMN1; SMN2BCL3
SCHEMBL1382764 0.80 SMN1; SMN2 (0.95) POLBALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL12333392 0.80 POLB (0.62) POLBALDH1A1KDM4ELMNAGLA
SCHEMBL13385672 0.80 POLB (0.61) POLBALDH1A1KDM4ESMN1; SMN2BCL3
SCHEMBL14525845 0.80 POLB (0.71) POLBALDH1A1KDM4ESMN1; SMN2BCL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022222-B2 Glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 US disclosed
US-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2010-04-22 US disclosed
US-20090247526-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-10-01 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-20090247526-A1 GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 POLB 2674/4885ALDH1A1 1869/4885KDM4E 2939/4885
US-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 POLB 2380/4885ALDH1A1 820/4885KDM4E 2831/4885

“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.