SCHEMBL13664923

SCHEMBL13664923

COc1cc(C(=O)N(C)OC)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
BLM P54132 1/20 0.45
MLYCD O95822 1/20 0.45
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
TPMT P51580 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL2282312 0.87 TAS1R3 (0.47) CYP1A2HSP90AA1HSP90AB1BLMMLYCD
SCHEMBL17151146 0.86 CYP1A2 (0.47) CYP1A2HSP90AA1HSP90AB1BLMCYP2C9
SCHEMBL4843412 0.84 MLYCD (0.49) MLYCDTAS1R3TAS1R1RAB9AKMT2A
SCHEMBL5604944 0.82 CYP1A2 (0.44) CYP1A2HSP90AA1HSP90AB1BLMMLYCD
SCHEMBL4568348 0.82 MLYCD (0.48) CYP1A2HSP90AA1HSP90AB1BLMMLYCD
SCHEMBL970447 0.81 RXFP1 (0.50) CYP1A2HSP90AA1HSP90AB1BLMMLYCD
SCHEMBL8988251 0.80 MLYCD (0.45) HSP90AA1HSP90AB1MLYCDMEN1RAB9A
SCHEMBL15216403 0.80 HPGD (0.59) MLYCDTSHRMEN1RAB9AKMT2A
SCHEMBL5776326 0.80 HDAC1 (0.51) MLYCDRAB9AKMT2ALMNAHTT
SCHEMBL30480721 0.80 MAPT (0.58) MLYCDCYP3A4TSHRRAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11147884-B2 Inhibitors of NHE-mediated antiport ARDELYX, INC. (US) 2021-10-19 US disclosed
US-11147884-B2 Inhibitors of NHE-mediated antiport ARDELYX, INC. (US) 2021-10-19 US disclosed
EP-3565811-A1 INHIBITORS OF NHE-MEDIATED ANTIPORT Ardelyx, Inc. (US) 2019-11-13 EP disclosed
WO-2018129557-A1 INHIBITORS OF NHE-MEDIATED ANTIPORT ARDELYX, INC. (US) 2018-07-12 WO disclosed
US-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 US disclosed
US-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 US disclosed
EP-2072519-A1 DIARYL KETIMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-24 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 (2 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-20090247560-A1 Diaryl ketimine derivative NR0B2, NR2C2, NR3C2 CYP1A2 70/4885HSP90AA1 1832/4885HSP90AB1 1473/4885
US-11147884-B2 Inhibitors of NHE-mediated antiport SLC10A1, SLC10A2, SLC9A2 CYP1A2 2168/4885HSP90AA1 202/4885HSP90AB1 165/4885

“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.