SCHEMBL352127

SCHEMBL352127

O=C(NCCc1cccc(Cl)c1)c1[nH]nc2c1CCN(C(=O)c1ccc3[nH]nnc3c1)C2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
ENPP2 Q13822 3/20 0.42
ATXN2 Q99700 3/20 0.42
PARP1 P09874 1/20 0.42
NAMPT P43490 1/20 0.41
CNR1 P21554 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
ABCB1 P08183 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
MAPT P10636 1/20 0.37
CXCR3 P49682 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL349265 0.91 MAPT (0.41) ENPP2ATXN2PARP1NAMPTCNR1
SCHEMBL348821 0.90 PARP1 (0.40) ENPP2ATXN2PARP1CNR1KMT2A
SCHEMBL16817236 0.87 ENPP2 (0.39) MAPK1ENPP2ATXN2PARP1NAMPT
SCHEMBL349952 0.87 PARP1 (0.39) PARP1RAB9ALMNAMAPT
SCHEMBL15139319 0.87 MAPT (0.44) MAPK1PARP1CNR1NPC1RAB9A
SCHEMBL351618 0.87 RAB9A (0.41) PARP1NAMPTCNR1NPC1RAB9A
SCHEMBL351354 0.86 ENPP2 (0.47) ENPP2ATXN2NAMPT
SCHEMBL351334 0.85 MAPK10 (0.41) ENPP2ATXN2NAMPTMEN1KMT2A
SCHEMBL349410 0.84 RAB9A (0.40) CNR1NPC1RAB9AMEN1KMT2A
SCHEMBL349743 0.83 ENPP2 (0.37) MAPK1ENPP2ATXN2LMNA

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-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US claimed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US disclosed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US disclosed
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 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-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 MAPK1 1634/4885ENPP2 1/4885ATXN2 601/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 MAPK1 1634/4885ENPP2 1/4885ATXN2 601/4885

“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.