SCHEMBL953622

SCHEMBL953622

Cc1nn2ccsc2c1C=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL11903992 0.70 LMNA (0.34) SMN1; SMN2LMNAHTTCYP1A2HPGD
SCHEMBL12677305 0.66
SCHEMBL3070035 0.64 HPGD (0.46) SMN1; SMN2LMNAHTTCYP1A2CYP2C9
SCHEMBL3077151 0.63 ALDH1A1 (0.40) SMN1; SMN2LMNAHTTCYP1A2CYP2C9
SCHEMBL5056164 0.63 PIK3CG (0.53) SMN1; SMN2LMNAHTTHPGD
SCHEMBL3077262 0.61 HPGD (0.34) SMN1; SMN2LMNAHTTCYP1A2CYP2C9
SCHEMBL21407584 0.60 LMNA (0.37) SMN1; SMN2LMNAHTTCYP1A2CYP2C9
SCHEMBL11916810 0.58
SCHEMBL211332 0.58 ALDH1A1 (0.55) SMN1; SMN2LMNAHTTCYP1A2CYP2C9
SCHEMBL12798300 0.58 SMN1; SMN2 (0.34) SMN1; SMN2LMNAHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 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 (2 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 SMN1; SMN2 3758/4885LMNA 4454/4885HTT 2250/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 SMN1; SMN2 3959/4885LMNA 2019/4885HTT 75/4885

“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.