SCHEMBL287111

SCHEMBL287111

Cc1ccc(C(=O)CN2CCC=C(C(=O)NNS(C)(=O)=O)C2)s1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 3/20 0.33
GAA P10253 2/20 0.33
HTR1A P08908 1/20 0.33
MIF P14174 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
DAO P14920 1/20 0.31

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
SCHEMBL287270 0.84 ALDH1A1 (0.47) HTTKMT2AALDH1A1KDM4EMEN1
SCHEMBL298396 0.79 ALDH1A1 (0.44) HTTKMT2AALDH1A1KDM4EMEN1
SCHEMBL27456213 0.77 KMT2A (0.35) HTTKMT2AALDH1A1KDM4EMEN1
SCHEMBL297538 0.77 ALDH1A1 (0.50) HTTKMT2AALDH1A1KDM4EMEN1
SCHEMBL659354 0.75 ALDH1A1 (0.33) HTTKMT2AALDH1A1KDM4EMEN1
SCHEMBL297732 0.73 BCAT1 (0.43) KMT2AALDH1A1MEN1POLBNPC1
SCHEMBL660676 0.72 KMT2A (0.38) KMT2AALDH1A1KDM4EMEN1POLB
SCHEMBL287300 0.71 ALDH1A1 (0.48) KMT2AALDH1A1KDM4EMEN1GAA
SCHEMBL286751 0.70 HTT (0.32) HTTKMT2AALDH1A1KDM4EMEN1
SCHEMBL297907 0.69 ALDH1A1 (0.45) HTTKMT2AALDH1A1KDM4EMEN1

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-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO claimed
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP disclosed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT HTT 75/4885KMT2A 4512/4885ALDH1A1 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.