SCHEMBL2046856

SCHEMBL2046856

[CH2]CCCCc1nnc(SC)n1C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TLR8 Q9NR97 14/20 0.36

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
SCHEMBL1878978 0.76 MEN1 (0.38) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL11337639 0.71 KMT2A (0.44) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL96984 0.63 ALDH1A1 (0.34) ALDH1A1
SCHEMBL12798235 0.61 — —
SCHEMBL12111894 0.61 — —
SCHEMBL9089789 0.59 — —
SCHEMBL3015911 0.58 SLC9A1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL1544451 0.55 MAPT (0.49) TSHRALDH1A1MEN1KMT2A
SCHEMBL1610603 0.55 — —
SCHEMBL5537061 0.54 SLC6A4 (0.44) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960422-B2 Pharmaceutically active compounds containing tetrazolyl and triazolyl rings ASTRAZENECA AB (SE) 2011-06-14 — — US disclosed
EP-2231647-A1 TETRAZOLE DERIVATES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS (MGLURS) AstraZeneca AB (SE) 2010-09-29 — — EP disclosed
US-20090131454-A1 New compounds 067 ASTRAZENECA AB (SE) 2009-05-21 — — US disclosed
WO-2009051556-A1 TETRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS (MGLURS) ASTRAZENECA AB (SE) 2009-04-23 — — 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-20090131454-A1 New compounds 067 UGT2B7, UGT1A7, CYP3A7 TSHR 3823/4885ALDH1A1 1808/4885TDP1 3919/4885

“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.

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