SCHEMBL287728

SCHEMBL287728

O=C(CN1C=CCC(C(=O)NCCOC(=O)c2ccccc2)=C1)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 5/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL660681 0.92 SMN1; SMN2 (0.43) NPSR1ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL660292 0.84 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL287234 0.81 ALDH1A1 (0.47) NPSR1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL286985 0.80 SMN1; SMN2 (0.41) NPSR1ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL659989 0.78 MEN1 (0.44) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL287827 0.77 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL659675 0.75 NPSR1 (0.44) NPSR1ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL661158 0.74 TDP1 (0.44) ALDH1A1HPGDSMN1; SMN2KMT2ALMNA
SCHEMBL287496 0.72 KAT6A (0.44) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL286819 0.71 MAPT (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA

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 4 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
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 NPSR1 3243/4885ALDH1A1 676/4885HPGD 202/4885

“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.