SCHEMBL3221809

SCHEMBL3221809

O=C(c1ccc(F)c(Cl)c1)c1cc2cccc(Br)c2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 1/20 0.43
HSD17B14 Q9BPX1 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
STK17B O94768 1/20 0.42
CHRNA7 P36544 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
HPGD P15428 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39

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
SCHEMBL3209928 0.90 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1848516 0.85 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3210023 0.81 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1852383 0.81 RAB9A (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1853751 0.79 ERN1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1850138 0.77 SRD5A2 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3204959 0.76 ALDH1A1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1853958 0.74 RAB9A (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2198159 0.73 CHRNA7 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1852915 0.72 PARP1 (0.36) SMN1; SMN2CHRM4RPA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 NPC1 2479/4885RAB9A 2891/4885SMN1; SMN2 4263/4885

“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.