SCHEMBL661571

SCHEMBL661571

O=C(NNC(=O)c1ccccc1)C1=CN(CC(=O)c2cccs2)C=CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
KMT2A Q03164 5/20 0.43
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CASP1 P29466 1/20 0.39
TSHR P16473 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39

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) RAB9AKMT2AERCC5FEN1ALDH1A1
SCHEMBL27871718 0.91 ERCC5 (0.43) RAB9AKMT2AERCC5FEN1ALDH1A1
SCHEMBL660111 0.91 RAB9A (0.46) RAB9AKMT2AERCC5FEN1ALDH1A1
SCHEMBL286969 0.88 ALDH1A1 (0.42) RAB9AKMT2AERCC5FEN1ALDH1A1
SCHEMBL7799733 0.87 ALDH1A1 (0.42) RAB9AKMT2AERCC5FEN1ALDH1A1
SCHEMBL27871728 0.85 TDP1 (0.43) RAB9AKMT2AERCC5FEN1ALDH1A1
SCHEMBL660129 0.85 GAA (0.46) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL660093 0.84 ALDH1A1 (0.44) RAB9AKMT2AERCC5FEN1ALDH1A1
SCHEMBL298474 0.84 SMN1; SMN2 (0.40) RAB9AKMT2AERCC5FEN1ALDH1A1
SCHEMBL287219 0.83 TSHR (0.42) RAB9AKMT2AALDH1A1MEN1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US 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 RAB9A 2179/4885KMT2A 4512/4885ERCC5 280/4885

“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.