SCHEMBL287148

SCHEMBL287148

Cc1cc(C)n(Cc2cc(C3=CN(CC(=O)c4cccs4)C=CC3)n(C3CCCCC3)n2)n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
APLNR P35414 1/20 0.33
MAPT P10636 2/20 0.33
KCNJ6 P48051 5/20 0.32
KCNJ3 P48549 5/20 0.32
KCNJ5 P48544 3/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 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
SCHEMBL298420 0.82 APLNR (0.37) ALDH1A1KDM4ETDP1APLNRKCNJ6
SCHEMBL661658 0.81 GRM5 (0.38) ALDH1A1HPGDKDM4EALOX15HSD17B10
SCHEMBL661852 0.81 CTNNB1 (0.34) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL661279 0.76 HPGD (0.37) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL297985 0.74 MAPT (0.35) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL27855104 0.73 APLNR (0.31) ALDH1A1KDM4EAPLNRKCNJ6KCNJ3
SCHEMBL286895 0.72 SMN1; SMN2 (0.34) MAPT
SCHEMBL287276 0.71 ALDH1A1 (0.35) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7808911 0.67 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMAPTPOLB
SCHEMBL27871720 0.66 MAPT (0.33) ALDH1A1HPGDKDM4EHSD17B10MAPT

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 676/4885HPGD 202/4885KDM4E 2916/4885

“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.