SCHEMBL286751

SCHEMBL286751

Cc1ccc(C(=O)CN2CC=CC(C(=O)NNS(C)(=O)=O)C2)s1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HTR1A P08908 1/20 0.31
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
DAO P14920 1/20 0.30

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
SCHEMBL299403 0.78 ALDH1A1 (0.46) KMT2AKDM4EMEN1ALDH1A1NPC1
SCHEMBL660676 0.78 KMT2A (0.38) KMT2AKDM4EMEN1ALDH1A1RAB9A
SCHEMBL287111 0.70 HTT (0.37) HTTTAS1R3TAS1R1KMT2AKDM4E
SCHEMBL279992 0.68 DAO (0.44) TAS1R3TAS1R1KMT2AMEN1ALDH1A1
SCHEMBL659354 0.68 ALDH1A1 (0.33) HTTTAS1R3TAS1R1KMT2AKDM4E
SCHEMBL27456213 0.68 KMT2A (0.35) HTTTAS1R3TAS1R1KMT2AKDM4E
SCHEMBL279616 0.64 RAB9A (0.49) KMT2AKDM4EMEN1ALDH1A1NPC1
SCHEMBL279617 0.64 DAO (0.42) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL279886 0.63 ALDH1A1 (0.42) TAS1R3TAS1R1KMT2AMEN1ALDH1A1
SCHEMBL279637 0.63 ALDH1A1 (0.49) HTTKMT2AKDM4EMEN1ALDH1A1

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 75/4885TAS1R3 2582/4885TAS1R1 2762/4885

“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.