SCHEMBL6829455

SCHEMBL6829455

COC(=O)Cc1c(C)cc(C#N)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.41
HTT P42858 1/20 0.40
HSD17B10 Q99714 6/20 0.40
KDM4E B2RXH2 6/20 0.40
GAA P10253 4/20 0.40
CASP1 P29466 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CASP7 P55210 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
GPR35 Q9HC97 2/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.37
GLA P06280 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
SCHEMBL6832152 0.89 GPR35 (0.38) HSP90AB1HTTHSD17B10KDM4EGAA
SCHEMBL21473717 0.83 PDE3B (0.45) HTTHSD17B10GAACASP1NPSR1
SCHEMBL6833033 0.81 HSP90AB1 (0.40) HSP90AB1HTTHSD17B10KDM4EGAA
SCHEMBL6589469 0.80 RXRA (0.40) KDM4EGAAMAPTALDH1A1GPR35
SCHEMBL769278 0.80 GAA (0.48) HSP90AB1HSD17B10KDM4EGAACASP1
SCHEMBL4839414 0.79 HTT (0.44) HSP90AB1HTTHSD17B10KDM4EGAA
SCHEMBL30088460 0.79 HTT (0.44) HSP90AB1HTTHSD17B10KDM4EGAA
SCHEMBL6829396 0.79 MAPT (0.50) HSP90AB1HSD17B10KDM4EGAACASP1
SCHEMBL13105846 0.78 HTT (0.37) HTTGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL2924016 0.78 HSP90AB1 (0.60) HSP90AB1HSD17B10KDM4EGAACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119823097-A PHD inhibitor compounds, compositions and uses 阿克比治疗有限公司 2025-04-15 CN disclosed
CN-115551845-B PHD inhibitor compounds, compositions and uses 阿克比治疗有限公司 2025-02-28 CN disclosed
US-20230227426-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2023-07-20 US disclosed
US-20230227426-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2023-07-20 US disclosed
EP-4121425-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE Akebia Therapeutics Inc. (US) 2023-01-25 EP disclosed
CN-115551845-A PHD inhibitor compounds, compositions and uses 阿克比治疗有限公司 2022-12-30 CN disclosed
WO-2021188936-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
WO-2021188936-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
US-6746990-B2 INSECTICIDES, ACARICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-06-08 US disclosed
US-20030045432-A1 Phenyl-substituted cyclic ketoenols FISCHER REINER (DE) 2003-03-06 US disclosed
US-6358887-B1 PREEMERGENCE, POSTEMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-03-19 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 (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-20030045432-A1 Phenyl-substituted cyclic ketoenols CYP19A1, DDT, CYP8B1 HSP90AB1 1084/4885HTT 1265/4885HSD17B10 246/4885
US-20230227426-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE HIF1AN, EGLN3, PHF20 HSP90AB1 144/4885HTT 3527/4885HSD17B10 342/4885

“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.