SCHEMBL4530786

SCHEMBL4530786

Cc1cc(C)cc(-c2cccc(-c3cnc(N)o3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 1/20 0.41
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
MAP4K4 O95819 6/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MITF O75030 1/20 0.40
NUDT1 P36639 1/20 0.36
ATR Q13535 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
STAT1 P42224 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
SCHEMBL4534870 0.92 KDR (0.47) RAB9ANPC1ALDH1A1TP53HPGD
SCHEMBL4528767 0.83 RAB9A (0.47) RAB9ANPC1ALDH1A1TP53HPGD
SCHEMBL14650182 0.82 MAP4K4 (0.54) RAB9ANPC1ALDH1A1MAP4K4MEN1
SCHEMBL4539660 0.79 HSD17B1 (0.55) ALDH1A1HPGDMAP4K4MEN1KMT2A
SCHEMBL4532640 0.79 RXRA (0.40) RAB9ANPC1ALDH1A1TP53HSD17B10
SCHEMBL4537136 0.78 MEN1 (0.56) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4534098 0.78 RAB9A (0.44) RAB9ANPC1ALDH1A1HPGDMAP4K4
SCHEMBL4535226 0.78 CYP17A1 (0.39) RAB9ANPC1ALDH1A1TP53HPGD
SCHEMBL4539780 0.77 MAP4K4 (0.49) RAB9ANPC1FLT1FLT4KDR
SCHEMBL13963164 0.76 FLT1 (0.49) FLT1FLT4KDRMAP4K4ATR

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.