SCHEMBL16200086

SCHEMBL16200086

COc1cc(C)ncc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.43
SLC6A4 P31645 7/20 0.43
SLC6A3 Q01959 5/20 0.43
NPC1 O15118 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 2/20 0.39
DYRK1A Q13627 1/20 0.39
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL14094830 0.83 NPC1 (0.42) SLC6A2SLC6A4SLC6A3NPC1GAA
SCHEMBL1424930 0.80 NPC1 (0.43) NPC1GAAALDH1A1HSP90AA1HSP90AB1
SCHEMBL30503613 0.80 NPC1 (0.43) NPC1GAAALDH1A1HSP90AA1HSP90AB1
SCHEMBL1054720 0.79 ALDH1A1 (0.46) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL14970165 0.79 ALDH1A1 (0.46) SLC6A2SLC6A4SLC6A3NPC1GAA
SCHEMBL25347088 0.78 GAA (0.42) NPC1GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL29513500 0.78 GAA (0.42) NPC1GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL4128579 0.77 UHRF1 (0.43) SLC6A2SLC6A4SLC6A3ALDH1A1DYRK1A
SCHEMBL29637517 0.77 DYRK1A (0.53) NPC1GAAALDH1A1HSP90AA1HSP90AB1
SCHEMBL31574402 0.77 GAA (0.41) NPC1GAAALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760762-B2 Thienopyranones and furanopyranones as kinase, bromodomain, and checkpoint inhibitors SIGNALRX PHARMACEUTICALS, INC. (US) 2023-09-19 US disclosed
WO-2021226517-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP 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-11760762-B2 Thienopyranones and furanopyranones as kinase, bromodomain, and checkpoint inhibitors CDK1, CDKN1A, CDKL1 SLC6A2 4846/4885SLC6A4 4870/4885SLC6A3 4835/4885

“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.