SCHEMBL11299342

SCHEMBL11299342

O=C(Cc1nnn[nH]1)NCc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.54
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
ALDH1A1 P00352 2/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
THRB P10828 1/20 0.49
HTT P42858 1/20 0.49
POLB P06746 1/20 0.49
ERCC1 P07992 1/20 0.48
ERCC4 Q92889 1/20 0.48
HPGD P15428 2/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL11293971 0.86 HPGD (0.51) P2RX7KMT2AMEN1NPC1RAB9A
SCHEMBL14679389 0.86 KMT2A (0.54) P2RX7KMT2AMEN1NPC1RAB9A
SCHEMBL10821420 0.80 RAB9A (0.38) P2RX7KMT2AMEN1NPC1RAB9A
SCHEMBL16290468 0.77 P2RX7 (0.45) P2RX7KMT2AMEN1NPC1RAB9A
SCHEMBL11327659 0.77 LMNA (0.62) KMT2AMEN1RAB9AALDH1A1THRB
SCHEMBL16082991 0.77 ALDH1A1 (0.83) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL14679391 0.76 TP53 (0.51) P2RX7NPC1ALDH1A1POLBHPGD
SCHEMBL11327663 0.76 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1THRBPOLB
SCHEMBL4862594 0.75 RAB9A (0.50) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL6314964 0.73 ALDH1A1 (0.38) KMT2AMEN1NPC1RAB9AALDH1A1

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 P2RX7 3058/4885KMT2A 3849/4885MEN1 3061/4885
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC P2RX7 3058/4885KMT2A 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.