SCHEMBL12316632

SCHEMBL12316632

OC1CCOc2cc(NC3CCCC3)c(Cl)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.49
KMT5B Q4FZB7 2/20 0.35
KMT5C Q86Y97 2/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA3 P07451 2/20 0.34
CA6 P23280 2/20 0.34
CA7 P43166 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
CISD1 Q9NZ45 1/20 0.34
CA12 O43570 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
RAB9A P51151 9/20 0.33
NPC1 O15118 9/20 0.33
SMN1; SMN2 Q16637 6/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL12316634 0.82 MAP3K14 (0.40) MAP3K14ALDH1A1KMT2AMAPTMAPK1
SCHEMBL12316643 0.75 MAP3K14 (0.49) MAP3K14
SCHEMBL12316538 0.73 MAP3K14 (0.57) MAP3K14ALDH1A1MAPT
SCHEMBL12316627 0.73 MAP3K14 (0.57) MAP3K14SMN1; SMN2
SCHEMBL12316631 0.72 MAOB (0.40) KMT5BKMT5CCA1CA2CA3
SCHEMBL12316635 0.68 KMT5B (0.36) KMT5BKMT5CCA1CA2CA3
SCHEMBL4521150 0.67 MAP3K14 (0.46) MAP3K14
SCHEMBL12316557 0.67 KMT5B (0.38) KMT5BKMT5CCA1CA2CA3
SCHEMBL12316626 0.67 MAP3K14 (0.49) MAP3K14MEN1ALDH1A1KMT2A
SCHEMBL24393413 0.66 MAP3K14 (0.75) MAP3K14RAB9ANPC1

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 MAP3K14 3794/4885KMT5B 4308/4885KMT5C 4514/4885

“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.