SCHEMBL662005

SCHEMBL662005

O=C(NNC(=O)c1cccnc1Cl)C1=CN(CC(=O)c2cccs2)C=CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TP53 P04637 1/20 0.40
GFER P55789 1/20 0.39
RAB9A P51151 2/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 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 0.87 ERCC5 (0.43) NPC1L3MBTL1TP53RAB9ALMNA
SCHEMBL660111 0.85 RAB9A (0.46) NPC1L3MBTL1TP53RAB9ASMN1; SMN2
SCHEMBL27854976 0.84 LMNA (0.35) NPC1L3MBTL1RAB9AGRIN1GRIN2B
SCHEMBL7799733 0.83 ALDH1A1 (0.42) NPC1L3MBTL1RAB9ASMN1; SMN2LMNA
SCHEMBL27871718 0.83 ERCC5 (0.43) NPC1L3MBTL1RAB9ALMNAGAA
SCHEMBL287147 0.82 KMT2A (0.57) NPC1L3MBTL1RAB9ASMN1; SMN2LMNA
SCHEMBL660856 0.82 CTNNB1 (0.40) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL661571 0.81 RAB9A (0.52) NPC1L3MBTL1RAB9ALMNAALDH1A1
SCHEMBL27854993 0.79 KDM4E (0.40) L3MBTL1RAB9AGRIN1GRIN2BSMN1; SMN2
SCHEMBL286969 0.78 ALDH1A1 (0.42) NPC1L3MBTL1RAB9ASMN1; SMN2LMNA

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 NPC1 1176/4885L3MBTL1 4711/4885TP53 1715/4885

“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.