SCHEMBL3517602

SCHEMBL3517602

O=C(O)N1CCCC[C@H]1[C@@H](O)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.41
MBTD1 Q05BQ5 2/20 0.41
FABP4 P15090 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
L3MBTL4 Q8NA19 1/20 0.39
SLC6A9 P48067 2/20 0.38
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
SLC6A2 P23975 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRND Q07001 1/20 0.38

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
SCHEMBL3517605 1.00 L3MBTL3 (0.41) L3MBTL3MBTD1FABP4HPGDTP53
SCHEMBL3517661 1.00 L3MBTL3 (0.41) L3MBTL3MBTD1FABP4HPGDTP53
SCHEMBL3076594 0.85 LMNA (0.44)
SCHEMBL3076592 0.85 LMNA (0.44)
SCHEMBL3515137 0.85 SLC6A3 (0.42) FABP4SLC6A9SIGMAR1SLC6A2SLC6A3
SCHEMBL3515140 0.85 SLC6A3 (0.42) FABP4SLC6A9SIGMAR1SLC6A2SLC6A3
SCHEMBL4777579 0.85 HSD17B2 (0.43) FABP4SLC6A9
SCHEMBL3533488 0.84 TSHR (0.45)
SCHEMBL3517415 0.81 HSD17B2 (0.45) HPGDSLC6A9
SCHEMBL4725421 0.81 POLB (0.48) HPGDTP53L3MBTL1CHRNA1CHRNG

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-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-11-25 US disclosed
EP-2170865-A2 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF, AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2010-04-07 EP disclosed
WO-2009010660-A2 SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF, AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-01-22 WO 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-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS WEE1, PRMT1, ABL1 L3MBTL3 2656/4885MBTD1 3851/4885FABP4 4879/4885

“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.