SCHEMBL6972459

SCHEMBL6972459

O=C(c1ccc(Br)o1)N1CCC(O)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
NPC1 O15118 2/20 0.61
PKM P14618 2/20 0.61
RAB9A P51151 2/20 0.61
LMNA P02545 2/20 0.61
TSHR P16473 2/20 0.48
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
ATM Q13315 1/20 0.44
MAPK10 P53779 3/20 0.43
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CSF1R P07333 1/20 0.42
PDE4B Q07343 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41

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
SCHEMBL6983303 0.81 LMNA (0.54) ALDH1A1NPC1PKMRAB9ALMNA
Hydrochloric Acid SCHEMBL6977257 0.80 LMNA (0.53) ALDH1A1NPC1PKMRAB9ALMNA
SCHEMBL6971694 0.79 TDP1 (0.59) ALDH1A1NPC1PKMRAB9ALMNA
SCHEMBL842376 0.76 AVPR2 (0.54) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL28001631 0.74 AVPR2 (0.43) ALDH1A1RAB9ATSHRKMT2AHPGD
SCHEMBL6979662 0.73 ALDH1A1 (0.70) ALDH1A1NPC1PKMRAB9ALMNA
SCHEMBL4128931 0.69 RAB9A (0.61) ALDH1A1RAB9ALMNATSHRKMT2A
SCHEMBL981565 0.68 NPC1 (0.61) NPC1RAB9AKMT2AGAAL3MBTL1
SCHEMBL2173894 0.68 NPC1 (0.61) NPC1RAB9AKMT2AGAAL3MBTL1
SCHEMBL2172049 0.68 NPC1 (0.61) NPC1RAB9AKMT2AGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030216398-A1 Soluble beta amyloid precursor protein secretion promoters TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-11-20 US disclosed
EP-1283055-A1 SOLUBLE BETA AMYLOID PRECURSOR PROTEIN SECRETION PROMOTERS Takeda Chemical Industries, Ltd. (JP) 2003-02-12 EP 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-20030216398-A1 Soluble beta amyloid precursor protein secretion promoters APP, BDNF, BACE1 ALDH1A1 1933/4885NPC1 1628/4885PKM 4037/4885

“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.