SCHEMBL477423

SCHEMBL477423

NC1(NC(=O)O)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.38
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
BLM P54132 1/20 0.35
CACNA2D1 P54289 1/20 0.35
ADRB2 P07550 2/20 0.33
FAAH O00519 1/20 0.33
HTT P42858 1/20 0.33
P2RX7 Q99572 1/20 0.33
CTSK P43235 1/20 0.32
MME P08473 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
Hydrochloric Acid SCHEMBL4731891 0.98 HDAC4 (0.37) HDAC4TSHRCYP2C19ALDH1A1SMN1; SMN2
SCHEMBL15232657 0.92
SCHEMBL15062781 0.80 ALDH1A1 (0.39) HDAC4TSHRCYP2C19ALDH1A1SMN1; SMN2
SCHEMBL14949533 0.79 TSHR (0.32) HDAC4TSHRCYP2C19
SCHEMBL21242398 0.78 HTT (0.40) TSHRCYP2C19ALDH1A1SMN1; SMN2USP2
SCHEMBL782010 0.76 KDM4E (0.41) TSHRCYP1A2
SCHEMBL27525129 0.75 TSHR (0.32) TSHRCYP2C19ALDH1A1SMN1; SMN2USP2
SCHEMBL2480644 0.75 NPSR1 (0.36) TSHRCYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL9698835 0.73 ADRB2 (0.54) CYP2C19ALDH1A1SMN1; SMN2LMNABLM
SCHEMBL22302657 0.73 ALDH1A1 (0.32) TSHRCYP2C19ALDH1A1SMN1; 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021065980-A1 BET DEGRADER 協和キリン株式会社 2021-04-08 WO disclosed
EP-3504213-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF ArQule, Inc. (US) 2019-07-03 EP disclosed
US-20180319772-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-11-08 US disclosed
US-10106526-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2018-10-23 US disclosed
WO-2018039310-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2018-03-01 WO disclosed
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-06-29 US disclosed
EP-2518080-B1 Antibiotic peptides AMP THERAPEUTICS GMBH (DE) 2016-05-18 EP disclosed
EP-2782580-A1 SELECTIVE KINASE INHIBITORS Portola Pharmaceuticals, Inc. (US) 2014-10-01 EP disclosed
CN-101801995-B Antibacterial peptide AMP THERAPEUTICS GMBH & CO KG 2013-10-30 CN disclosed
EP-2170928-B1 ANTIBIOTIC PEPTIDES AMP THERAPEUTICS GMBH (DE) 2013-07-03 EP disclosed
EP-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
WO-2013078468-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 WO disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO disclosed
EP-2411387-A2 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY Pathway Therapeutics, Inc. (US) 2012-02-01 EP disclosed
WO-2010110685-A2 PYRIMDDINYL AND 1,3,5-TRIAZINYL BENZIMTOAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-09-30 WO disclosed
CN-101801995-A Antibacterial peptide AMP THERAPEUTICS GMBH & CO KG 2010-08-11 CN disclosed
WO-2008094909-A2 QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-07 WO disclosed
EP-0067518-B1 MODIFIED BETA-LACTAM COMPOUNDS BEECHAM GROUP PLC (GB) 1985-08-21 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 (3 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-10106526-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 HDAC4 757/4885TSHR 3200/4885CYP2C19 2330/4885
US-20180319772-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HDAC4 757/4885TSHR 3200/4885CYP2C19 2330/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HDAC4 757/4885TSHR 3200/4885CYP2C19 2330/4885

“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.