SCHEMBL12334129

SCHEMBL12334129

CCc1cccc(C(=O)NCCCN2CCOCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
KDM4E B2RXH2 1/20 0.67
GAA P10253 1/20 0.66
CYP2C9 P11712 2/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.60
TSHR P16473 1/20 0.60
PARP1 P09874 1/20 0.59
KMT2A Q03164 1/20 0.58
TACR2 P21452 1/20 0.57
POLB P06746 2/20 0.56

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
SCHEMBL10264071 0.93 CYP2C19 (0.69) ALDH1A1SMN1; SMN2GAACYP2C9CYP2D6
SCHEMBL5476524 0.88 SMYD2 (0.62) ALDH1A1KDM4EGAAPARP1KMT2A
SCHEMBL29818241 0.86 TSHR (0.73) ALDH1A1SMN1; SMN2KDM4EGAACYP2C9
SCHEMBL10192030 0.86 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2KDM4EGAACYP2C9
SCHEMBL8430041 0.85 TSHR (0.73) ALDH1A1SMN1; SMN2KDM4ECYP2C9CYP2D6
SCHEMBL22823029 0.83 SMN1; SMN2 (0.70) ALDH1A1SMN1; SMN2KDM4EGAACYP2C9
SCHEMBL12305542 0.83 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2KDM4EGAACYP2C9
SCHEMBL1382764 0.82 SMN1; SMN2 (0.95) ALDH1A1SMN1; SMN2KDM4EGAACYP2C19
SCHEMBL13060850 0.82 SMYD2 (0.67) PARP1KMT2APOLB
SCHEMBL12334148 0.82 NPSR1 (0.58) ALDH1A1CYP2C9CYP2D6CYP2C19PARP1

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 ALDH1A1 1869/4885SMN1; SMN2 2600/4885KDM4E 2939/4885
US-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 ALDH1A1 820/4885SMN1; SMN2 2946/4885KDM4E 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.