SCHEMBL7799733

SCHEMBL7799733

CNNC(=O)C1=CN(CC(=O)c2cccs2)C=CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
MAPT P10636 3/20 0.37
GSK3B P49841 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.37
CTNNB1 P35222 2/20 0.36
WNT3A P56704 2/20 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
SCHEMBL661687 0.93 ERCC5 (0.43) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL660111 0.91 RAB9A (0.46) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL27871718 0.89 ERCC5 (0.43) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL287773 0.87 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL661571 0.87 RAB9A (0.52) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL286969 0.86 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL287219 0.85 TSHR (0.42) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL659705 0.84 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL662303 0.84 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL661019 0.83 NPSR1 (0.43) ALDH1A1MEN1KMT2ANPC1RAB9A

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
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US 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 676/4885MEN1 1455/4885KMT2A 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.