SCHEMBL4527592

SCHEMBL4527592

COc1ccc(-c2cccc(C)c2)cc1-c1cnc(N)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
FYN P06241 4/20 0.43
HTR2C P28335 1/20 0.43
HPGD P15428 5/20 0.43
TP53 P04637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43
GAK O14976 1/20 0.42
IMPDH2 P12268 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL4539470 0.88 FYN (0.47) KITNPC1RAB9AFYNGAK
SCHEMBL4522595 0.83 MAP4K4 (0.49) SMN1; SMN2NPC1RAB9AHSD17B10TSHR
SCHEMBL4534870 0.80 KDR (0.47) SMN1; SMN2NPC1RAB9AHSD17B10TSHR
SCHEMBL4533430 0.76 MGAM (0.49) SMN1; SMN2NPC1RAB9ATSHRALDH1A1
SCHEMBL13963165 0.75 MAP4K4 (0.46)
SCHEMBL30622680 0.74 PDE4A (0.59) SMN1; SMN2NPC1RAB9AHSD17B10KDM4E
SCHEMBL4530786 0.73 RAB9A (0.41) SMN1; SMN2NPC1RAB9AHSD17B10KDM4E
SCHEMBL5849709 0.72 ALDH1A1 (0.63) KITSMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL6242919 0.72 IDO1 (0.49) SMN1; SMN2NPC1RAB9AHSD17B10TSHR
SCHEMBL19398434 0.71 DYRK1A (0.51) KITSMN1; SMN2NPC1RAB9AHSD17B10

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 3 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

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 KIT 605/4885SMN1; SMN2 2157/4885NPC1 2993/4885

“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.