SCHEMBL311564

SCHEMBL311564

CNC(=O)c1ccccc1C

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.62
GAA P10253 2/20 0.61
PLK1 P53350 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
POLB P06746 1/20 0.55
TYK2 P29597 1/20 0.55
MAPK1 P28482 1/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 1/20 0.53
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
DHODH Q02127 1/20 0.50

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
SCHEMBL29746319 1.00 HPGD (0.62) HPGDGAAPLK1SMN1; SMN2POLB
SCHEMBL28300251 0.92 GAA (0.58) HPGDGAAPLK1SMN1; SMN2POLB
SCHEMBL2344909 0.85 GAA (0.71) GAAPLK1SMN1; SMN2POLBALDH1A1
SCHEMBL2650229 0.84 POLB (0.72) HPGDGAASMN1; SMN2POLBTYK2
SCHEMBL3140037 0.84 HPGD (0.64) HPGDSMN1; SMN2POLBTYK2NPC1
SCHEMBL29971293 0.84 GAA (0.53) HPGDGAAPLK1SMN1; SMN2MAPK1
SCHEMBL30339452 0.83 PLK1 (0.53) HPGDGAAPLK1POLBNPC1
SCHEMBL4155499 0.83 PLK1 (0.53) HPGDGAAPLK1POLBNPC1
SCHEMBL18763268 0.83 POLB (0.61) HPGDGAASMN1; SMN2POLBTYK2
SCHEMBL4815209 0.82 HPGD (0.62) HPGDGAASMN1; SMN2POLBTYK2

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 326 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114190632-A Antibacterial breathable mask and preparation method thereof 高守垒 2022-03-18 CN claimed
US-11066749-B2 Corrosion inhibition of HCL treatment fluids with environmentally compatible solvent HALLIBURTON ENERGY SERVICES, INC. (US) 2021-07-20 US claimed
CN-112704292-A Preparation method of antibacterial breathable mask 高守垒 2021-04-27 CN claimed
US-20200173034-A1 Corrosion Inhibition of HCL Treatment Fluids with Environmentally Compatible Solvent HALLIBURTON ENERGY SERVICES, INC. (US) 2020-06-04 US claimed
US-10604850-B2 Corrosion inhibition of HCL treatment fluids with environmentally compatible solvent HALLIBURTON ENERGY SERVICES, INC. (US) 2020-03-31 US claimed
US-20180127882-A1 Corrosion Inhibition of HCL Treatment Fluids with Environmentally Compatible Solvent HALLIBURTON ENERGY SERVICES, INC. (US) 2018-05-10 US claimed
US-20170253582-A1 TRIAZOLE MODIFIED COUMARIN AND BIPHENYL AMIDE-BASED HSP90 INHIBITORS REATA PHARMACEUTICALS, INC. 2017-09-07 US claimed
EP-3154964-A1 TRIAZOLE MODIFIED COUMARIN AND BIPHENYL AMIDE-BASED HSP90 INHIBITORS The University of Kansas (US) 2017-04-19 EP claimed
CN-106458939-A Oxazolidine-based compound and selective androgen receptor agonist comprising same 东亚ST株式会社 2017-02-22 CN claimed
WO-2016190865-A1 CORROSION INHIBITION OF HCL TREATMENT FLUIDS WITH ENVIRONMENTALLY COMPATIBLE SOLVENT HALLIBURTON ENERGY SERVICES, INC. (US) 2016-12-01 WO claimed
WO-2015192099-A1 TRIAZOLE MODIFIED COUMARIN AND BIPHENYL AMIDE-BASED HSP90 INHIBITORS THE UNIVERSITY OF KANSAS (US) 2015-12-17 WO claimed
EP-2646600-A1 CORROSION INHIBITOR COMPOSITIONS COMPRISING REACTION PRODUCTS OF ALDEHYDES AND AMIDES AND RELATED METHODS Halliburton Energy Services, Inc. (US) 2013-10-09 EP claimed
US-8361937-B2 Corrosion inhibitor compositions comprising reaction products of aldehydes and amides and related methods HALLIBURTON ENERGY SERVICES, INC. (US) 2013-01-29 US claimed
WO-2012072986-A1 CORROSION INHIBITOR COMPOSITIONS COMPRISING REACTION PRODUCTS OF ALDEHYDES AND AMIDES AND RELATED METHODS HALLIBURTON ENERGY SERVICES, INC. (US) 2012-06-07 WO claimed
US-20120142563-A1 Corrosion Inhibitor Compositions Comprising Reaction Products of Aldehydes and Amides and Related Methods HALLIBURTON ENERGY SERVICES, INC. (US) 2012-06-07 US claimed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
US-5245004-A ANHYDROUS POLYMERIZATION OF CAPROLACTAM WITH CATALYST, COCATALYST AND ACTIVATOR UNITIKA LTD. (JP) 1993-09-14 US claimed
EP-0522533-A1 Process for polymerizing epsilon-caprolactam UNITIKA LTD. (JP) 1993-01-13 EP claimed
JP-55139333-A None JP disclosed
US-3956391-A Amino substituted tetrahydropleiadenes SANDOZ, INC. (US) 1976-05-11 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 (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-20170253582-A1 TRIAZOLE MODIFIED COUMARIN AND BIPHENYL AMIDE-BASED HSP90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 HPGD 237/4885GAA 1042/4885PLK1 1441/4885

“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.