SCHEMBL659961

SCHEMBL659961

O=C(CN1C=CC(C(=O)NCCOC(=O)c2ccccc2)C=C1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 2/20 0.36
NR1I2 O75469 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 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
SCHEMBL287525 0.87 ALDH1A1 (0.50) TDP1HPGDALDH1A1LMNASMN1; SMN2
SCHEMBL659675 0.86 NPSR1 (0.44) TDP1HPGDALDH1A1LMNASMN1; SMN2
SCHEMBL7603207 0.71 TDP1 (0.63) TDP1HPGDALDH1A1LMNASMN1; SMN2
SCHEMBL13100724 0.70 HPGD (0.74) TDP1HPGDALDH1A1LMNASMN1; SMN2
SCHEMBL9309788 0.69 TDP1 (0.59) TDP1HPGDALDH1A1LMNASMN1; SMN2
SCHEMBL16248438 0.69 LMNA (0.61) TDP1HPGDALDH1A1LMNASMN1; SMN2
SCHEMBL1526930 0.69 TDP1 (0.59) TDP1HPGDALDH1A1LMNASMN1; SMN2
SCHEMBL28554560 0.68 TDP1 (0.58) TDP1HPGDALDH1A1LMNASMN1; SMN2
SCHEMBL6228373 0.67 ALDH1A1 (0.61) HPGDALDH1A1LMNASMN1; SMN2GAA
SCHEMBL6408925 0.67 TDP1 (0.56) TDP1HPGDALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1217/4885HPGD 202/4885ALDH1A1 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.