SCHEMBL906778

SCHEMBL906778

N#CCCCCCCCCC(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.34
LOX P28300 1/20 0.30
LOXL3 P58215 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL27906075 0.88
SCHEMBL365120 0.79
SCHEMBL28802451 0.79 TSHR (0.55) TSHRALDH1A1TDP1CYP3A4MAPT
SCHEMBL20494560 0.78
SCHEMBL2568120 0.78
SCHEMBL2565575 0.78
SCHEMBL645518 0.78 ALDH1A1 (0.58) TSHRALDH1A1TDP1CYP3A4MAPT
SCHEMBL1004069 0.78 ALDH1A1 (0.58) TSHRALDH1A1TDP1CYP3A4MAPT
SCHEMBL411130 0.78 ALDH1A1 (0.58) TSHRALDH1A1TDP1CYP3A4MAPT
SCHEMBL5203287 0.78 ALDH1A1 (0.58) TSHRALDH1A1TDP1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276759-B1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES LILLY CO ELI (US) 2011-10-19 EP disclosed
US-7932274-B2 3-indazolyl-4-pyridylisothiazoles ELI LILLY AND COMPANY (US) 2011-04-26 US disclosed
EP-2276759-A1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES Eli Lilly & Company (US) 2011-01-26 EP disclosed
US-20090253750-A1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES ELI LILLY AND COMPANY 2009-10-08 US disclosed
WO-2009123855-A1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES ELI LILLY AND COMPANY (US) 2009-10-08 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-20090253750-A1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES CYP3A4, IPO4, JAK3 TSHR 2970/4885ALDH1A1 853/4885TDP1 3587/4885

“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.