SCHEMBL287891

SCHEMBL287891

O=C(CN1C=CCC(c2cc(Cc3ccccc3)n(-c3ccccc3)n2)=C1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
HSD11B1 P28845 3/20 0.33
LMNA P02545 3/20 0.33
GRM5 P41594 1/20 0.33
HPGD P15428 2/20 0.32
CXCR5 P32302 1/20 0.32
APLNR P35414 1/20 0.32
CCR6 P51684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
KDM5A P29375 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL287304 0.78 HCAR2 (0.43) ALDH1A1HPGDKDM5AMAPT
SCHEMBL27871788 0.77 SMN1; SMN2 (0.34) ALDH1A1GRM5HPGDSMN1; SMN2
SCHEMBL27854973 0.76 SMN1; SMN2 (0.33) ALDH1A1LMNAGRM5SMN1; SMN2HTT
SCHEMBL27854974 0.73 MAPT (0.33) ALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL297985 0.71 MAPT (0.35) ALDH1A1HSD11B1LMNAGRM5HPGD
SCHEMBL27854995 0.67 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2GSK3AGSK3B
SCHEMBL661372 0.66 RAB9A (0.39) ALDH1A1LMNASMN1; SMN2MAPTHTT
SCHEMBL660917 0.66 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2GSK3AGSK3B
SCHEMBL298161 0.65 BRS3 (0.38) ALDH1A1HSD11B1HPGDGSK3BKDM4C
SCHEMBL298933 0.65 RAB9A (0.40) ALDH1A1HPGDSMN1; SMN2GSK3AGSK3B

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 5 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
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 ALDH1A1 676/4885HSD11B1 2684/4885LMNA 123/4885

“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.