SCHEMBL11298232

SCHEMBL11298232

O=C(CCO)NCc1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.68
ALDH1A1 P00352 2/20 0.68
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
GAA P10253 1/20 0.57
POLB P06746 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTT P42858 1/20 0.55
TPSAB1 Q15661 1/20 0.55
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53

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
SCHEMBL11864632 0.89 HPGD (0.73) HPGDALDH1A1MEN1KMT2ACYP2C9
SCHEMBL17372509 0.85 HPGD (0.68) HPGDALDH1A1MEN1KMT2ACYP2C9
SCHEMBL10692807 0.85 KMT2A (0.68) HPGDALDH1A1MEN1KMT2ACYP2C9
SCHEMBL2453831 0.84 HTT (0.70) HPGDALDH1A1MEN1KMT2ACYP2C9
SCHEMBL8269663 0.84 HPGD (0.81) HPGDALDH1A1MEN1KMT2ACYP2C9
SCHEMBL9516476 0.82 HPGD (0.64) HPGDALDH1A1MEN1KMT2ACYP2C9
SCHEMBL146436 0.81 GAA (0.75) HPGDALDH1A1MEN1KMT2ACYP2C19
SCHEMBL4035227 0.81 KMT2A (0.68) HPGDALDH1A1MEN1KMT2ACYP2C9
SCHEMBL16082991 0.81 ALDH1A1 (0.83) HPGDALDH1A1MEN1KMT2ACYP2C9
SCHEMBL13436807 0.81 HPGD (0.67) HPGDALDH1A1MEN1KMT2ACYP2C9

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-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
EP-2665704-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES Galapagos NV (BE) 2013-11-27 EP disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
WO-2012098033-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2012-07-26 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 (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-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC HPGD 583/4885ALDH1A1 1373/4885MEN1 3061/4885
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC HPGD 583/4885ALDH1A1 1373/4885MEN1 3061/4885

“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.