SCHEMBL4524495

SCHEMBL4524495

Cc1cccc(-c2cccc(-c3nc(N)oc3C)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DPP4 P27487 1/20 0.43
TSHR P16473 1/20 0.42
ADORA1 P30542 1/20 0.42
MAPK14 Q16539 2/20 0.42
ATR Q13535 1/20 0.42
ENPP3 O14638 1/20 0.42
NR4A2 P43354 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAP4K4 O95819 1/20 0.40
RIPK2 O43353 1/20 0.40
NUDT1 P36639 1/20 0.40

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
SCHEMBL4527722 0.89 NR4A2 (0.50) ALDH1A1HPGDPOLBHSD17B10DPP4
SCHEMBL4529082 0.81 RAB9A (0.45) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL10263008 0.80 RAB9A (0.47) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL9955462 0.77 RAB9A (0.45) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4526075 0.76 DHFR (0.45) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL10827478 0.74 HPGD (0.47) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL7708453 0.73 RAB9A (0.58) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4546890 0.72 RAB9A (0.55) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL19577801 0.72 ACHE (0.65) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4546965 0.72 ALDH1A1 (0.56) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2

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 RAB9A 1024/4885NPC1 2993/4885ALDH1A1 1363/4885

“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.