SCHEMBL3210282

SCHEMBL3210282

CCOC(=O)c1cc(C(C)C)nn1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PPARG P37231 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
JAK2 O60674 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
SLC16A3 O15427 1/20 0.43
SLC16A1 P53985 1/20 0.43

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
SCHEMBL3220124 0.86 PPARG (0.51) NPC1LMNAALDH1A1PPARGSMN1; SMN2
SCHEMBL3198943 0.82 SMN1; SMN2 (0.72) NPC1LMNAALDH1A1KDM4EPPARG
SCHEMBL3213738 0.82 PTGER1 (0.48) NPC1LMNAALDH1A1KDM4EPPARG
SCHEMBL3208410 0.80 PPARG (0.61) PPARG
SCHEMBL4616295 0.79 PPARG (0.61) NPC1LMNAALDH1A1KDM4EPPARG
SCHEMBL3847540 0.78 ALDH1A1 (0.49) NPC1LMNAALDH1A1KDM4EPPARG
SCHEMBL17732974 0.76 NPC1 (0.50) NPC1LMNAALDH1A1KDM4EPPARG
SCHEMBL3204724 0.75 PPARG (0.64) NPC1LMNAALDH1A1PPARGSMN1; SMN2
SCHEMBL5107618 0.75 NPC1 (0.54) NPC1LMNAALDH1A1KDM4EPPARG
SCHEMBL19737844 0.74 PTGER1 (0.58) NPC1LMNAALDH1A1PPARGSMN1; 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-20100041892-A1 Therapeutic agent for diabetes ABE HIDENORI 2010-02-18 US disclosed
US-20090270631-A1 Therapeutic agent for diabetes ABE HIDENORI 2009-10-29 US disclosed
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
US-20080009530-A1 Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-10 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO 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 (4 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-20090270631-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 NPC1 1683/4885LMNA 1909/4885ALDH1A1 212/4885
US-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 NPC1 2819/4885LMNA 3761/4885ALDH1A1 1527/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 NPC1 1377/4885LMNA 2486/4885ALDH1A1 118/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 NPC1 1683/4885LMNA 1909/4885ALDH1A1 212/4885

“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.