SCHEMBL287206

SCHEMBL287206

O=C(NNc1ccccc1)C1=CN(CC(=O)c2ccccc2)C=CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.47
ALDH1A1 P00352 7/20 0.38
GAA P10253 6/20 0.38
MAPT P10636 4/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP3A4 P08684 4/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
CES1 P23141 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX5 P09917 2/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 3/20 0.35
CYP1A2 P05177 2/20 0.35

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
SCHEMBL298474 0.91 SMN1; SMN2 (0.40) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL7805087 0.86 HDAC1 (0.40) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL287827 0.85 ALDH1A1 (0.41) PTGS2ALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL660154 0.85 SMN1; SMN2 (0.39) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL286969 0.84 ALDH1A1 (0.42) ALDH1A1GAAKDM4ESMN1; SMN2MEN1
SCHEMBL659966 0.84 RAB9A (0.45) ALDH1A1GAAKDM4ESMN1; SMN2MEN1
SCHEMBL660917 0.83 ALDH1A1 (0.40) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL660526 0.82 KAT6A (0.35) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL27854995 0.82 ALDH1A1 (0.41) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL660454 0.81 KAT6A (0.51) ALDH1A1GAAMAPTCYP3A4MEN1

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 PTGS2 993/4885ALDH1A1 676/4885GAA 194/4885

“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.