SCHEMBL4528036

SCHEMBL4528036

Cc1cc(Oc2ccc(-c3ccccc3)cc2)nc(N)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.64
NPC1 O15118 4/20 0.64
RAB9A P51151 3/20 0.64
MAPT P10636 5/20 0.60
CYP1A2 P05177 4/20 0.60
CYP2C9 P11712 4/20 0.60
CYP2C19 P33261 4/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
MAPK1 P28482 4/20 0.60
HPGD P15428 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
ATM Q13315 1/20 0.60
TSHR P16473 3/20 0.55
HTT P42858 2/20 0.55
HSD17B10 Q99714 1/20 0.55
NUDT1 P36639 1/20 0.54
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 4/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL4528068 0.90 NPC1 (0.67) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL4535234 0.88 CYP1A2 (0.57) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL14988002 0.83 MAPK1 (0.88) NPC1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4535033 0.79 HSP90AA1 (0.51) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL4177914 0.78 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL7895245 0.77 NUDT1 (0.69) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL7363505 0.77 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL14987986 0.77 MAPK1 (0.76) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL24309604 0.76 MAPK1 (0.70) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL14987887 0.75 MAPT (0.85) NPC1MAPTCYP1A2CYP2C9CYP2C19

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
EP-1648876-A1 5-HT SB 2B /SB RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2006-04-26 EP disclosed
WO-2005012263-A1 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-02-10 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 (1 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 SMN1; SMN2 2157/4885NPC1 2993/4885RAB9A 1024/4885

“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.