SCHEMBL660707

SCHEMBL660707

COCCNC(=O)C1=CN(CC(=O)c2cccs2)C=C(Br)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
LMNA P02545 7/20 0.46
HPGD P15428 3/20 0.43
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 4/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL661298 0.80 ALDH1A1 (0.38) GAALMNAHPGDHTTSMN1; SMN2
SCHEMBL27854961 0.73 ALDH1A1 (0.38) GAALMNAHPGDHTTSMN1; SMN2
SCHEMBL2330242 0.73 GAA (0.82) GAALMNAHPGDHTTSMN1; SMN2
SCHEMBL661019 0.70 NPSR1 (0.43) GAALMNAHTTSMN1; SMN2RAB9A
SCHEMBL287234 0.70 ALDH1A1 (0.47) GAALMNAHPGDHTTSMN1; SMN2
SCHEMBL287198 0.68 ALDH1A1 (0.39) GAALMNAHPGDHTTSMN1; SMN2
SCHEMBL6230755 0.66 GAA (0.48) GAALMNAHPGDHTTSMN1; SMN2
SCHEMBL1935628 0.66 GAA (1.00) GAALMNAHPGDHTTSMN1; SMN2
SCHEMBL661687 0.66 ERCC5 (0.43) GAALMNAHTTRAB9AALDH1A1
Hydrochloric Acid SCHEMBL1194287 0.65 GAA (0.47) GAALMNAHPGDHTTSMN1; SMN2

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 194/4885LMNA 123/4885HPGD 202/4885

“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.