SCHEMBL349265

SCHEMBL349265

O=C(NCCc1ccc(Cl)cc1)c1[nH]nc2c1CCN(C(=O)c1ccc3[nH]nnc3c1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
MCHR1 Q99705 3/20 0.39
CHRM1 P11229 2/20 0.39
HTR2A P28223 2/20 0.39
POLB P06746 1/20 0.39
PARP1 P09874 1/20 0.39
CNR1 P21554 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
ENPP2 Q13822 1/20 0.37
ATXN2 Q99700 1/20 0.37

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
SCHEMBL348821 0.92 PARP1 (0.40) MAPTKMT2APOLBPARP1CNR1
SCHEMBL351618 0.92 RAB9A (0.41) RAB9ANPC1KMT2AMCHR1PARP1
SCHEMBL349952 0.92 PARP1 (0.39) MAPTRAB9ATP53POLBPARP1
SCHEMBL15139319 0.92 MAPT (0.44) MAPTRAB9ANPC1TP53KMT2A
SCHEMBL351334 0.92 MAPK10 (0.41) MAPTTP53L3MBTL1MEN1KMT2A
SCHEMBL352127 0.91 MAPK1 (0.44) MAPTRAB9ANPC1MEN1GAA
SCHEMBL349410 0.89 RAB9A (0.40) MAPTRAB9ANPC1L3MBTL1MEN1
SCHEMBL351354 0.87 ENPP2 (0.47) ENPP2ATXN2NAMPT
SCHEMBL16817272 0.87 PRLHR (0.37) MAPTRAB9ANPC1TP53L3MBTL1
SCHEMBL351126 0.85 ITGB2 (0.39) ENPP2ATXN2

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-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
EP-2414346-A1 AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2012-02-08 EP 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 MAPT 2648/4885RAB9A 1779/4885NPC1 3210/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 MAPT 2648/4885RAB9A 1779/4885NPC1 3210/4885

“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.