SCHEMBL11296859

SCHEMBL11296859

O=C(NCc1ccc(Cl)cc1)C1CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.68
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
ALDH1A1 P00352 4/20 0.61
SLC13A5 Q86YT5 1/20 0.61
USP2 O75604 1/20 0.60
HPGD P15428 1/20 0.60
POLB P06746 1/20 0.59
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
EPHX1 P07099 1/20 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
SCHEMBL14420046 0.92 HDAC6 (0.67) MAPTKMT2AMEN1ALDH1A1SLC13A5
SCHEMBL172079 0.89 ALDH1A1 (0.68) MAPTKMT2AMEN1ALDH1A1SLC13A5
SCHEMBL23747548 0.88 RAB9A (0.66) MAPTKMT2AMEN1POLBNPC1
Hydrochloric Acid SCHEMBL30164247 0.88 ALDH1A1 (0.67) MAPTKMT2AMEN1ALDH1A1SLC13A5
SCHEMBL13745754 0.86 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1SLC13A5POLB
SCHEMBL28472104 0.84 ALDH1A1 (0.62) MAPTKMT2AALDH1A1USP2HPGD
SCHEMBL3349120 0.83 ALDH1A1 (0.67) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL23747596 0.83 RAB9A (0.63) KMT2AMEN1ALDH1A1USP2HPGD
SCHEMBL23747820 0.83 RAB9A (0.63) KMT2AMEN1ALDH1A1USP2HPGD
SCHEMBL23774080 0.82 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1USP2HPGD

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 6 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
CN-103328442-A Azetidine derivatives useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV 2013-09-25 CN 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 MAPT 4336/4885KMT2A 3849/4885MEN1 3061/4885
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC MAPT 4336/4885KMT2A 3849/4885MEN1 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.