SCHEMBL997130

SCHEMBL997130

[c]1[c]c(SCc2ccccc2)ccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
PRMT1 Q99873 1/20 0.35
S100A4 P26447 1/20 0.35
DAO P14920 1/20 0.35
IDO1 P14902 1/20 0.34
NOS3 P29474 1/20 0.34

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
SCHEMBL4302 0.76 POLB (0.44) POLBHSD17B10RAB9ASMN1; SMN2MAOA
SCHEMBL996266 0.72 POLB (0.48) POLBHSD17B10RAB9ASMN1; SMN2MAOA
SCHEMBL9479768 0.68 HSD17B10 (0.48) POLBHSD17B10RAB9ASMN1; SMN2NPC1
SCHEMBL28647335 0.68 POLB (0.44) POLBHSD17B10RAB9ASMN1; SMN2MAOA
SCHEMBL6607295 0.68 POLB (0.44) POLBHSD17B10RAB9ASMN1; SMN2MAOA
SCHEMBL367099 0.67 POLB (0.56) POLBHSD17B10RAB9ASMN1; SMN2MAOA
SCHEMBL28847125 0.66 L3MBTL1 (0.40) POLBHSD17B10RAB9ASMN1; SMN2MAOA
SCHEMBL402875 0.65 MAOA (0.58) POLBHSD17B10RAB9ASMN1; SMN2MAOA
SCHEMBL380896 0.65 POLB (0.41) POLBHSD17B10RAB9ASMN1; SMN2MAOA
SCHEMBL442875 0.65 MAOA (0.49) POLBHSD17B10RAB9ASMN1; SMN2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2975023-B1 GUANIDINOBENZOIC ACID ESTER COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-05-30 EP claimed
EP-1712549-B1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO LTD (JP) 2018-04-11 EP claimed
EP-2697232-B1 6,7-DIHYDROIMIDAZO[2,1-B][1,3]OXAZINE BACTERICIDES OTSUKA PHARMA CO LTD (JP) 2016-05-18 EP claimed
US-8697910-B2 Optically active quaternary ammonium salt having axial asymmetry and process for producing α-amino acid and derivative thereof with the same NAGASE & CO., LTD (JP) 2014-04-15 US claimed
US-7928224-B2 Optically active quaternary ammonium salt having axial asymmetry and process for producing α-amino acid and derivative thereof with the same NAGASE & CO., LTD (JP) 2011-04-19 US claimed
US-20070161624-A1 Optically active quaternary ammonium salt having axial asymmetry and process for producing alpha-amino acid and derivative thereof with the same KISHIDA CHEMICAL CO., LTD. (JP) 2007-07-12 US claimed
US-20070135654-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING alpha-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO., LTD (JP) 2007-06-14 US claimed
EP-1778667-A1 COMPOUNDS AND METHODS FOR PRODUCING ANISOTROPY Merck Patent GmbH (DE) 2007-05-02 EP claimed
EP-1712549-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & COMPANY, LTD. (JP) 2006-10-18 EP claimed
WO-2006021282-A1 COMPOUNDS AND METHODS FOR PRODUCING ANISOTROPY MERCK PATENT GMBH (DE) 2006-03-02 WO claimed
WO-2022054615-A1 PHENOXY RESIN, RESIN COMPOSITION, CURED PRODUCT, LAMINATE FOR ELECTRIC/ELECTRONIC CIRCUITS, AND METHOD FOR PRODUCING PHENOXY RESIN 日鉄ケミカル&マテリアル株式会社 2022-03-17 WO disclosed
US-20210355058-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL CO (JP) 2021-11-18 US disclosed
US-20210340317-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2021-11-04 US disclosed
WO-2020080558-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-04-23 WO disclosed
WO-2020079225-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2020-04-23 WO disclosed
EP-1173427-B1 HYDROXAMIC ACID DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2006-04-05 EP disclosed
WO-2006021282-A1 COMPOUNDS AND METHODS FOR PRODUCING ANISOTROPY MERCK PATENT GMBH (DE) 2006-03-02 WO disclosed
US-6713477-B1 1,4-BENZTHIAZINES OR BENZOXAZINES; MATRIX METALLOPROTEINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-30 US disclosed
EP-1173427-A1 HYDROXAMIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-01-23 EP disclosed
WO-2000063197-A1 HYDROXAMIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-10-26 WO 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 (4 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-20070135654-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING alpha-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME BCAT1, BCAT2, AADAT POLB 622/4885HSD17B10 1671/4885RAB9A 1151/4885
US-20210340317-A1 POLYCYCLIC COMPOUNDS CBR1, C1R, CBR3 POLB 2505/4885HSD17B10 1405/4885RAB9A 1648/4885
US-20210355058-A1 POLYCYCLIC COMPOUNDS CBR1, CBR3, C1R POLB 2686/4885HSD17B10 1119/4885RAB9A 1897/4885
US-20070161624-A1 Optically active quaternary ammonium salt having axial asymmetry and process for producing alpha-amino acid and derivative thereof with the same BCAT1, BCAT2, AADAT POLB 622/4885HSD17B10 1671/4885RAB9A 1151/4885

“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.