SCHEMBL660037

SCHEMBL660037

Cc1ccc(C(=O)CN2C=CCC(c3cc(CCc4ccccc4)n[nH]3)=C2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 1/20 0.35
HTR1A P08908 1/20 0.31
MAPK1 P28482 1/20 0.31
CSNK2A2 P19784 1/20 0.31
KDR P35968 1/20 0.31
PLK1 P53350 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PARP1 P09874 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
SCHEMBL660157 0.87 HTT (0.33) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6598073 0.72 ALDH1A1 (0.38) NPC1USP2RAB9ASMN1; SMN2L3MBTL1
SCHEMBL298638 0.71 LMNA (0.32) L3MBTL1ALDH1A1MAPK1KDRLMNA
SCHEMBL27871691 0.70
SCHEMBL298106 0.70 RAB9A (0.31) USP2RAB9AALDH1A1MAPTMEN1
SCHEMBL299223 0.69 DRD4 (0.34) RAB9ASMN1; SMN2L3MBTL1ALDH1A1MAPK1
SCHEMBL660291 0.67 KMT2A (0.38) NPC1USP2RAB9ASMN1; SMN2L3MBTL1
SCHEMBL7066427 0.66 HRH2 (0.34) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL27871675 0.66 KMT2A (0.33) L3MBTL1MEN1KMT2A
SCHEMBL7798097 0.65 KMT2A (0.36) NPC1USP2RAB9ASMN1; SMN2L3MBTL1

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 1176/4885USP2 4400/4885RAB9A 2179/4885

“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.