SCHEMBL12316627

SCHEMBL12316627

OC1CCOc2cc(Br)c(Cl)cc21

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.57
AHR P35869 3/20 0.41
HTR1A P08908 3/20 0.37
CYP2D6 P10635 3/20 0.37
SLC6A4 P31645 3/20 0.37
MAOB P27338 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AKR1B1 P15121 1/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.31
ADRA2A P08913 1/20 0.31

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
SCHEMBL20449226 0.80 MAP3K14 (0.49) MAP3K14HTR1ACYP2D6SLC6A4MAOB
SCHEMBL12316538 0.80 MAP3K14 (0.57) MAP3K14HTR1ACYP2D6SLC6A4
SCHEMBL20449228 0.80 MAP3K14 (0.49) MAP3K14HTR1ACYP2D6SLC6A4MAOB
SCHEMBL12316643 0.73 MAP3K14 (0.49) MAP3K14PTGDR2
SCHEMBL12316626 0.73 MAP3K14 (0.49) MAP3K14PTGDR2
SCHEMBL12316632 0.73 MAP3K14 (0.49) MAP3K14SMN1; SMN2
SCHEMBL24393413 0.72 MAP3K14 (0.75) MAP3K14AHRHTR1ACYP2D6SLC6A4
SCHEMBL1271967 0.72 MAP3K14 (0.51) MAP3K14AHRHTR1ACYP2D6SLC6A4
SCHEMBL12501454 0.72 MAP3K14 (0.65) MAP3K14AHRHTR1ACYP2D6SLC6A4
SCHEMBL16397491 0.72 MAP3K14 (0.75) MAP3K14AHRHTR1ACYP2D6SLC6A4

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 3794/4885AHR 2672/4885HTR1A 629/4885

“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.