SCHEMBL3515035

SCHEMBL3515035

O=C(c1cccc(I)c1)C1CCCCN1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 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
SCHEMBL3515032 1.00 MGLL (0.43) MGLLSLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL4776003 0.85 MGLL (0.48) MGLL
SCHEMBL3088285 0.84 MCL1 (0.46)
SCHEMBL5172182 0.84 MCL1 (0.46)
SCHEMBL3518717 0.84 HPGD (0.51) SLC6A2SLC6A3MEN1KMT2A
SCHEMBL5339926 0.84 TDP1 (0.48) SLC6A2SLC6A3
SCHEMBL3518713 0.84 HPGD (0.51) SLC6A2SLC6A3MEN1KMT2A
SCHEMBL3515528 0.81 LMNA (0.53) MGLLKMT2A
SCHEMBL4776118 0.81 KDM2B (0.51) MGLLSLC6A2SLC6A3MEN1MAPK1
SCHEMBL3515523 0.81 LMNA (0.53) MGLLKMT2A

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 MGLL 4184/4885SLC6A2 3752/4885SLC6A4 3890/4885

“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.