SCHEMBL12316366

SCHEMBL12316366

COC(=O)c1ccc(NC2CCCC2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 2/20 0.48
HPGD P15428 1/20 0.48
CASP6 P55212 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
YAP1 P46937 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.45
TSHR P16473 1/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL12316367 0.89 ALDH1A1 (0.49) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL12316328 0.88 GAA (0.45) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL8834684 0.87 YAP1 (0.53) MEN1KMT2AALDH1A1RAB9AGABRA1
SCHEMBL6154287 0.86 PARP15 (0.55) ALDH1A1RAB9AHPGDL3MBTL1GAA
SCHEMBL27589069 0.85 TDP1 (0.61) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL12316340 0.84 MAPT (0.53) ALDH1A1GAA
Hydrochloric Acid SCHEMBL29032399 0.82 DRD4 (0.43) MEN1KMT2AGAA
SCHEMBL29032388 0.82 GAA (0.47) MEN1KMT2AGAA
SCHEMBL4244832 0.81 POLB (0.63) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL29012606 0.80 PTGS1 (0.53) ALDH1A1RAB9AGABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 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-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS SLC29A1, SLC29A2, SLC43A3 MEN1 1573/4885KMT2A 4226/4885ALDH1A1 516/4885

“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.