Sugi Predict

Sugi Predict / Compounds / SCHEMBL3661372

SCHEMBL3661372

SCHEMBL3661372

NC(=O)c1cc(Cl)c(N)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 2/20 0.50
▸ GAA P10253 3/20 0.44
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA7 P43166 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CA14 Q9ULX7 2/20 0.43
▸ CA3 P07451 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA13 Q8N1Q1 1/20 0.43
▸ CA5B Q9Y2D0 1/20 0.43
▸ ACHE P22303 1/20 0.40
▸ HTR4 Q13639 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL6584376 0.83 ALDH1A1 (0.48) SLC9A1GAACA12CA1CA2
SCHEMBL11307448 0.83 GAA (0.55) SLC9A1GAACA12CA1CA2
SCHEMBL3661250 0.83 HSP90AA1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL12316304 0.82 GAA (0.46) SLC9A1GAACA12CA1CA2
SCHEMBL11182606 0.78 CA12 (0.55) SLC9A1GAACA12CA1CA2
SCHEMBL30153675 0.78 CASP1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL23948545 0.78 SLC9A1 (0.49) SLC9A1GAACA12CA1CA2
SCHEMBL6815970 0.78 SLC9A1 (0.49) SLC9A1GAACA12CA1CA2
SCHEMBL3566173 0.77 GAA (0.68) GAACA12CA1CA2CA7
SCHEMBL23511720 0.77 ALDH1A1 (0.52) GAACA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209790-B1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-17 — — EP disclosed
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-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
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 — — US disclosed
EP-2209790-A2 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2010-07-28 — — EP disclosed
WO-2009062990-A2 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-05-22 — — WO 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 SLC9A1 40/4885GAA 559/4885CA12 4377/4885

“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.