SCHEMBL268900

SCHEMBL268900

COc1cccc(CNC(=O)c2cccnc2C[C@H](O)[C@H](N)Cc2ccccc2F)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
HPGD P15428 2/20 0.53
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
USP2 O75604 1/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 2/20 0.51
RAB9A P51151 1/20 0.47
APEX1 P27695 1/20 0.46
LMNA P02545 2/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PPARA Q07869 1/20 0.43
ROCK1 Q13464 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
SCHEMBL270246 0.91 HPGD (0.51) KMT2AHPGDALDH1A1MEN1MAPT
SCHEMBL268363 0.88 LMNA (0.47) KMT2AHPGDALDH1A1KDM4EMEN1
SCHEMBL3987433 0.88 LMNA (0.47) KMT2AHPGDALDH1A1KDM4EMEN1
SCHEMBL267747 0.85 HPGD (0.54) KMT2AHPGDALDH1A1KDM4EPOLB
Hydrochloric Acid SCHEMBL269080 0.84 HPGD (0.53) KMT2AHPGDALDH1A1KDM4EPOLB
SCHEMBL268272 0.82 LMNA (0.48) KMT2AHPGDALDH1A1MEN1MAPT
SCHEMBL268989 0.82 LMNA (0.45) KMT2AALDH1A1KDM4EMEN1MAPT
Hydrochloric Acid SCHEMBL270565 0.81 LMNA (0.47) KMT2AHPGDALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL270684 0.81 LMNA (0.44) KMT2AALDH1A1KDM4EMEN1POLB
SCHEMBL270028 0.81 RAB9A (0.52) KMT2AALDH1A1MEN1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133907-B2 Type II diabetes, obesity, hyperglycemia and a lipid disorder selected from dyslipidemia, hyperlipidemia, hypertriglyceridemia, hypercholesterolemia, low HDL and high LDL; additionally comprising metformin ELI LILLY AND COMPANY (US) 2012-03-13 US disclosed
EP-1912946-B1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS LILLY CO ELI (US) 2009-05-27 EP disclosed
US-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors ELI LILLY AND COMPANY 2008-09-04 US disclosed
EP-1912946-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS Eli Lilly and Company (US) 2008-04-23 EP disclosed
WO-2007015767-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-02-08 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 (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-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors DPP4, DPP3, DPP7 KMT2A 3516/4885HPGD 1844/4885ALDH1A1 557/4885

“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.