SCHEMBL660109

SCHEMBL660109

O=C(NNS(=O)(=O)C(F)(F)F)C1=CN(CC(=O)c2cccs2)C=CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.36
WNT3A P56704 2/20 0.36
ALDH1A1 P00352 7/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 5/20 0.34
RAB9A P51151 2/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL287773 0.87 ALDH1A1 (0.39) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL661687 0.86 ERCC5 (0.43) CTNNB1WNT3AALDH1A1MAPTLMNA
SCHEMBL662303 0.84 ALDH1A1 (0.38) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL660129 0.84 GAA (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL660111 0.84 RAB9A (0.46) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL7799733 0.82 ALDH1A1 (0.42) CTNNB1WNT3AALDH1A1MAPTLMNA
SCHEMBL27871718 0.82 ERCC5 (0.43) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL287088 0.82 GAA (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL286776 0.82 ALDH1A1 (0.44) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL661571 0.81 RAB9A (0.52) ALDH1A1MAPTLMNAMEN1KMT2A

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 CTNNB1 3236/4885WNT3A 2765/4885ALDH1A1 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.