SCHEMBL659786

SCHEMBL659786

CS(=O)(=O)NNC(=O)C1=CN(CC(=O)c2cccs2)C(N2CCCC2)=CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
MAPT P10636 7/20 0.37
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
POLB P06746 1/20 0.37
GFER P55789 1/20 0.37
HTT P42858 2/20 0.36
MAPK1 P28482 3/20 0.36
LMNA P02545 3/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 3/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL661266 0.85 ALDH1A1 (0.38) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL660215 0.85 GAA (0.39) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL287153 0.83 ALDH1A1 (0.41) ALDH1A1KMT2ALMNATSHRGAA
SCHEMBL287330 0.77 HTT (0.45) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL287773 0.77 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL287270 0.75 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL7807379 0.73 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL287198 0.73 ALDH1A1 (0.39) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL661298 0.72 ALDH1A1 (0.38) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL660184 0.72 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2APOLB

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 ALDH1A1 676/4885MAPT 61/4885MEN1 1455/4885

“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.