SCHEMBL351618

SCHEMBL351618

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TLR2 O60603 2/20 0.39
TLR1 Q15399 2/20 0.39
PARP1 P09874 1/20 0.39
CNR1 P21554 4/20 0.37
EGFR P00533 1/20 0.37
CDK2 P24941 1/20 0.37
MCHR1 Q99705 1/20 0.37
NAMPT P43490 5/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
KMT2A Q03164 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
SCHEMBL15139319 0.92 MAPT (0.44) RAB9ANPC1SMN1; SMN2PARP1CNR1
SCHEMBL349265 0.92 MAPT (0.41) RAB9ANPC1PARP1CNR1MCHR1
SCHEMBL349952 0.92 PARP1 (0.39) RAB9APARP1
SCHEMBL349410 0.89 RAB9A (0.40) RAB9ANPC1SMN1; SMN2CNR1KMT2A
SCHEMBL348821 0.89 PARP1 (0.40) SMN1; SMN2PARP1CNR1KMT2A
SCHEMBL352127 0.87 MAPK1 (0.44) RAB9ANPC1SMN1; SMN2PARP1CNR1
SCHEMBL16817211 0.87 TLR2 (0.37) RAB9ANPC1TLR2TLR1PARP1
SCHEMBL351334 0.84 MAPK10 (0.41) NAMPTKMT2A
SCHEMBL351047 0.83 ENPP2 (0.34) PARP1CNR1NAMPT
SCHEMBL351894 0.83 MAPK10 (0.44) NAMPT

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 RAB9A 1779/4885NPC1 3210/4885SMN1; SMN2 3076/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 RAB9A 1779/4885NPC1 3210/4885SMN1; SMN2 3076/4885

“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.