SCHEMBL1672141

SCHEMBL1672141

Nc1nnc(COCc2ccccc2)s1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
ATM Q13315 1/20 0.62
TSHR P16473 1/20 0.52
HPGD P15428 1/20 0.51
MGAM O43451 1/20 0.51
GAA P10253 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL11925831 0.85 ATM (0.66) ALDH1A1ATMTSHRHPGDMGAM
SCHEMBL2644442 0.78 ALDH1A1 (1.00) ALDH1A1ATMTSHRHPGDPOLB
SCHEMBL10755428 0.77 LMNA (0.62) ALDH1A1ATMHPGDMGAMGAA
SCHEMBL3729367 0.77 ATM (1.00) ALDH1A1ATMHPGDPOLBRAB9A
Hydrogen Sulfide SCHEMBL28084028 0.77 ALDH1A1 (0.96) ALDH1A1ATMTSHRHPGDPOLB
Methane SCHEMBL11192510 0.74 TSHR (0.94) ALDH1A1TSHRPOLB
SCHEMBL10873457 0.74 ATM (0.80) ALDH1A1ATMHPGDPOLB
SCHEMBL10821887 0.74 GAA (0.60) ALDH1A1ATMHPGDMGAMGAA
SCHEMBL31421230 0.72 ALDH1A1 (0.64) ALDH1A1ATMHPGDL3MBTL1
SCHEMBL1313694 0.72 KDM4E (0.56) ALDH1A1ATMTSHRHPGDMGAM

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
EP-2491045-B1 2-OXO-1-PYRROLIDINYL IMIDAZOTHIADIAZOLE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2015-12-23 EP disclosed
US-8822508-B2 2-oxo-1-pyrrolidinyl imidazothiadiazole derivatives UCB PHARMA, S.A. (BE) 2014-09-02 US disclosed
US-20120245208-A1 2-Oxo-1-Pyrrolidinyl Imidazothiadiazole Derivatives UCB PHARMA, S.A. (BE) 2012-09-27 US disclosed
EP-2491045-A1 2-OXO-1-PYRROLIDINYL IMIDAZOTHIADIAZOLE DERIVATIVES UCB Pharma S.A. (BE) 2012-08-29 EP disclosed
CN-102574869-A 2-oxo-1-pyrrolidinyl imidazothiadiazole derivatives UCB PHARMA SA 2012-07-11 CN disclosed
WO-2011047860-A1 2-OXO-1-PYRROLIDINYL IMIDAZOTHIADIAZOLE DERIVATIVES UCB PHARMA, S.A. (BE) 2011-04-28 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-20120245208-A1 2-Oxo-1-Pyrrolidinyl Imidazothiadiazole Derivatives CYP3A4, CYP3A43, CYP3A7 ALDH1A1 620/4885ATM 3663/4885TSHR 3295/4885

“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.