SCHEMBL658334

SCHEMBL658334

O=C(NNS(=O)(=O)Cc1ccccc1)C1=CN(CC(=O)c2ccccc2)C=CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.36
KAT6A Q92794 6/20 0.36
KAT5 Q92993 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
KAT8 Q9H7Z6 1/20 0.36
HPGD P15428 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
ACLY P53396 1/20 0.34
P4HTM Q9NXG6 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL660526 0.87 KAT6A (0.35) GAAMAPTALDH1A1KAT6AHPGD
SCHEMBL298474 0.86 SMN1; SMN2 (0.40) GAAMAPTALDH1A1HPGDTSHR
SCHEMBL660454 0.86 KAT6A (0.51) GAAMAPTALDH1A1KAT6A
SCHEMBL7805087 0.82 HDAC1 (0.40) GAAMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL658510 0.81 POLB (0.47) GAAMAPTALDH1A1KAT6AHPGD
SCHEMBL287206 0.81 PTGS2 (0.47) GAAMAPTALDH1A1HPGDTSHR
SCHEMBL660154 0.80 SMN1; SMN2 (0.39) GAAMAPTALDH1A1HPGDTSHR
SCHEMBL660141 0.79 HTT (0.53) GAAMAPTALDH1A1KAT6ASMN1; SMN2
SCHEMBL658725 0.78 POLB (0.46) GAAMAPTALDH1A1CA1CA2
SCHEMBL27854995 0.77 ALDH1A1 (0.41) GAAMAPTALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT GAA 194/4885MAPT 61/4885ALDH1A1 676/4885

“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.