SCHEMBL12316645

SCHEMBL12316645

Cc1cc2c(cc1NC1CCCC1)OCCC2=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 3/20 0.40
MAOA P21397 1/20 0.40
KDM4E B2RXH2 1/20 0.37
GRM5 P41594 4/20 0.35
BRD4 O60885 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
P2RX7 Q99572 1/20 0.34

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
SCHEMBL12316631 0.83 MAOB (0.40) LMNAALDH1A1SMN1; SMN2MAOBMAOA
SCHEMBL12316670 0.81 MAOB (0.45) ALDH1A1SMN1; SMN2MAOBMAOAGRM5
SCHEMBL12316673 0.80 KDM4E (0.38) ALDH1A1SMN1; SMN2MAOBMAOAKDM4E
SCHEMBL12316753 0.79 GAA (0.47) LMNAALDH1A1SMN1; SMN2MAOBKDM4E
SCHEMBL12316731 0.77 KDM4E (0.36) HDAC8LMNAALDH1A1MAPTCRHBP
SCHEMBL30558386 0.77 MAOB (0.53) ALDH1A1SMN1; SMN2MAOBMAOAGRM5
SCHEMBL11001293 0.77 MAOB (0.53) ALDH1A1SMN1; SMN2MAOBMAOAGRM5
SCHEMBL12316711 0.76 RAB9A (0.46) ALDH1A1MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL12316629 0.76 KDM4E (0.49) LMNAALDH1A1MAPTMAOBMAOA
SCHEMBL12316658 0.75 PTGS2 (0.41) ALDH1A1SMN1; SMN2MAOBMAOAGRM5

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 HDAC8 4294/4885LMNA 2514/4885ALDH1A1 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.