SCHEMBL8202479

SCHEMBL8202479

CC(=O)NCCNC(=O)c1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.71
NPC1 O15118 4/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
L3MBTL1 Q9Y468 2/20 0.71
CYP1A2 P05177 2/20 0.66
TSHR P16473 1/20 0.66
NFKB1 P19838 1/20 0.66
MAOB P27338 1/20 0.66
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64
CNR1 P21554 1/20 0.60
MAPT P10636 3/20 0.59
GAA P10253 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
GFER P55789 1/20 0.57
TAAR1 Q96RJ0 1/20 0.56
POLB P06746 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
SCHEMBL9584535 0.90 CYP1A2 (0.78) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL12301918 0.83 LMNA (0.73) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9585444 0.83 CYP1A2 (0.68) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6359975 0.83 CYP1A2 (0.68) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL10873630 0.82 CYP1A2 (0.62) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL10077313 0.81 KMT2A (0.61) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9491749 0.81 HDAC3 (0.76) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9585652 0.81 CYP1A2 (0.70) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11476769 0.81 CYP1A2 (0.70) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL16248437 0.81 LMNA (0.70) RAB9ANPC1KMT2ASMN1; SMN2MAPT

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-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
WO-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 WO disclosed
US-5238962-A Administering an antidepressants HOFFMANN-LA ROCHE INC. (US) 1993-08-24 US 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 RAB9A 2233/4885NPC1 432/4885MEN1 3061/4885
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC RAB9A 2233/4885NPC1 432/4885MEN1 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.