SCHEMBL298466

SCHEMBL298466

Cc1cc(C)n(Cc2cc(C3=CN(CC(=O)c4ccc([N+](=O)[O-])s4)C=CC3)n[nH]2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.32
HTR1A P08908 1/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 3/20 0.31
PKM P14618 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL298106 0.89 RAB9A (0.31) HTTKMT2AALDH1A1MEN1MAPT
SCHEMBL27854967 0.84 SMN1; SMN2 (0.36) SMN1; SMN2HTTKMT2AALDH1A1LMNA
SCHEMBL661279 0.83 HPGD (0.37) HTTKMT2AALDH1A1MEN1MAPT
SCHEMBL298638 0.69 LMNA (0.32) ALDH1A1LMNAHPGDL3MBTL1
SCHEMBL286895 0.68 SMN1; SMN2 (0.34) SMN1; SMN2MAPT
SCHEMBL297985 0.66 MAPT (0.35) SMN1; SMN2KMT2AALDH1A1MEN1MAPT
SCHEMBL287304 0.63 HCAR2 (0.43) ALDH1A1MAPTHPGD
SCHEMBL287148 0.61 ALDH1A1 (0.33) ALDH1A1MAPTLMNAHPGD
SCHEMBL661852 0.61 CTNNB1 (0.34) SMN1; SMN2KMT2AALDH1A1MEN1MAPT
SCHEMBL660037 0.60 NPC1 (0.36) SMN1; SMN2HTTKMT2AALDH1A1HTR1A

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 3 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 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 SMN1; SMN2 640/4885HTT 75/4885KMT2A 4512/4885

“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.