SCHEMBL4528068

SCHEMBL4528068

Cc1cc(Oc2ccccc2)nc(N)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
RAB9A P51151 1/20 0.67
NUDT1 P36639 2/20 0.64
MAPT P10636 4/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
CYP1A2 P05177 3/20 0.63
CYP2C9 P11712 2/20 0.63
MAPK1 P28482 2/20 0.63
CYP2C19 P33261 2/20 0.63
HPGD P15428 1/20 0.63
ATM Q13315 1/20 0.63
HTT P42858 1/20 0.61
TSHR P16473 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
CYP2D6 P10635 1/20 0.47

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
SCHEMBL4528036 0.90 SMN1; SMN2 (0.64) NPC1SMN1; SMN2RAB9ANUDT1MAPT
SCHEMBL4535234 0.88 CYP1A2 (0.57) NPC1SMN1; SMN2RAB9ANUDT1MAPT
SCHEMBL7895245 0.87 NUDT1 (0.69) NPC1SMN1; SMN2RAB9ANUDT1MAPT
SCHEMBL4177914 0.83 SMN1; SMN2 (0.63) NPC1SMN1; SMN2RAB9ANUDT1MAPT
SCHEMBL9638455 0.81 NUDT1 (0.63) NPC1SMN1; SMN2RAB9ANUDT1MAPT
SCHEMBL17623918 0.81 MAPT (0.67) NPC1SMN1; SMN2RAB9ANUDT1MAPT
SCHEMBL11972460 0.81 F10 (0.58) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL7363505 0.79 SMN1; SMN2 (0.62) NPC1SMN1; SMN2RAB9ANUDT1MAPT
SCHEMBL23010902 0.79 MAPT (0.63) NPC1SMN1; SMN2RAB9ANUDT1MAPT
SCHEMBL16441869 0.79 MEN1 (0.75) NPC1SMN1; SMN2RAB9ANUDT1MAPT

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-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US disclosed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B NPC1 2993/4885SMN1; SMN2 2157/4885RAB9A 1024/4885
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 NPC1 523/4885SMN1; SMN2 4223/4885RAB9A 3793/4885

“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.