SCHEMBL661687

SCHEMBL661687

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
ALDH1A1 P00352 6/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
GSK3B P49841 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
TP53 P04637 1/20 0.39
HDAC1 Q13547 1/20 0.39
GAA P10253 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
SCHEMBL660111 0.98 RAB9A (0.46) ERCC5FEN1ALDH1A1RAB9AMEN1
SCHEMBL27871718 0.95 ERCC5 (0.43) ERCC5FEN1ALDH1A1RAB9AMEN1
SCHEMBL661571 0.93 RAB9A (0.52) ERCC5FEN1ALDH1A1RAB9AMEN1
SCHEMBL7799733 0.93 ALDH1A1 (0.42) ERCC5FEN1ALDH1A1RAB9AMEN1
SCHEMBL286969 0.90 ALDH1A1 (0.42) ERCC5FEN1ALDH1A1RAB9AMEN1
SCHEMBL287219 0.89 TSHR (0.42) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL287773 0.89 ALDH1A1 (0.39) ERCC5FEN1ALDH1A1RAB9AMEN1
SCHEMBL659705 0.89 ALDH1A1 (0.37) ERCC5FEN1ALDH1A1RAB9AMEN1
SCHEMBL287147 0.88 KMT2A (0.57) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL661019 0.87 NPSR1 (0.43) ERCC5FEN1ALDH1A1RAB9AMEN1

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 ERCC5 280/4885FEN1 2225/4885ALDH1A1 676/4885

“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.