SCHEMBL661158

SCHEMBL661158

O=C(OCCOC(=O)c1ccccc1)C1=CN(CC(=O)c2ccccc2)C=CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
BCHE P06276 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
SCHEMBL660962 0.90 KMT2A (0.41) TDP1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL27854995 0.83 ALDH1A1 (0.41) TDP1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL660364 0.81 PDCD1 (0.43) LMNASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL660917 0.81 ALDH1A1 (0.40) TDP1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL27871677 0.81 ALDH1A1 (0.38) TDP1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL298933 0.80 RAB9A (0.40) TDP1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL27854950 0.78 ADRA2C (0.35) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7805087 0.75 HDAC1 (0.40) TDP1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL286985 0.75 SMN1; SMN2 (0.41) TDP1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL287206 0.74 PTGS2 (0.47) TDP1SMN1; SMN2HPGDMAPK1KMT2A

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 TDP1 1217/4885LMNA 123/4885SMN1; SMN2 640/4885

“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.