SCHEMBL8998973

SCHEMBL8998973

Nc1cccc(C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.50
CYP3A4 P08684 1/20 0.50
CASP1 P29466 1/20 0.50
RECQL P46063 1/20 0.50
CPN1 P15169 1/20 0.47
CPB2 Q96IY4 1/20 0.47
TSHR P16473 1/20 0.46
MAOB P27338 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP19A1 P11511 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44

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
SCHEMBL16424114 0.93 CYP3A4 (0.58) MAOACYP3A4CASP1RECQLCPN1
SCHEMBL28356672 0.88 ALDH1A1 (0.57) MAOACYP3A4CASP1RECQLCPN1
SCHEMBL21380576 0.84 MAOA (0.41) MAOACYP3A4CASP1RECQLCPN1
SCHEMBL28091155 0.83 ALDH1A1 (0.50) CYP3A4CASP1RECQLCPN1CPB2
SCHEMBL7763010 0.83 ALDH1A1 (0.50) CYP3A4CASP1RECQLCPN1CPB2
SCHEMBL27925316 0.80 CA12 (0.64) CYP3A4CASP1RECQLCPN1CPB2
SCHEMBL5832415 0.79 MAOA (0.48) MAOACYP3A4CASP1RECQLCPN1
SCHEMBL17064637 0.79 CA1 (0.57) MAOACYP3A4CASP1RECQLCPN1
SCHEMBL22051091 0.79 CYP3A4 (0.56) CYP3A4CASP1TSHRMAOBTDP1
SCHEMBL22050359 0.78 MEN1 (0.40) CYP3A4CASP1RECQLCPN1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104592197-A Preparation method of besifloxacin hydrochloride GUANGXI RENHENG PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO LTD 2015-05-06 CN claimed
CN-106867251-B A kind of prepreg and the method that honeycomb core is prepared by it 杭州铠恒新材料有限公司 2019-03-12 CN disclosed
US-20180305830-A1 METHOD FOR PRODUCING AMINO-FUNCTIONAL AROMATIC COMPOUNDS COVESTRO DEUTSCHLAND AG (DE) 2018-10-25 US disclosed
EP-3362588-A1 METHOD FOR PRODUCING AMINO-FUNCTIONAL AROMATIC COMPOUNDS Covestro Deutschland AG (DE) 2018-08-22 EP disclosed
CN-103012264-B The method for splitting of 3 substituted-amino hexahydro 1H azepans 常州亚邦制药有限公司 2018-01-19 CN disclosed
CN-106867251-A A kind of prepreg and the method that honeycomb core is prepared by it 杭州昂瑞阻燃科技有限公司 2017-06-20 CN disclosed
WO-2017064133-A1 METHOD FOR PRODUCING AMINO-FUNCTIONAL AROMATIC COMPOUNDS COVESTRO DEUTSCHLAND AG (DE) 2017-04-20 WO disclosed
CN-104592197-A Preparation method of besifloxacin hydrochloride GUANGXI RENHENG PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO LTD 2015-05-06 CN disclosed
EP-0543986-B1 POLYMERIC RESIN FOR PEPTIDE SYNTHESIS RES & DIAGNOSTIC ANTIBODIES (US) 1996-09-04 EP disclosed
EP-0543986-A4 POLYMERIC RESIN FOR PEPTIDE SYNTHESIS 1993-11-10 EP disclosed
EP-0543986-A1 POLYMERIC RESIN FOR PEPTIDE SYNTHESIS. RES & DIAGNOSTIC ANTIBODIES (US) 1993-06-02 EP disclosed
US-5198531-A POLYMERIC RESIN FOR PEPTIDE SYNTHESIS RESEARCH DIAGNOSTIC ANTIBODIES (US) 1993-03-30 US disclosed
WO-1992022591-A1 POLYMERIC RESIN FOR PEPTIDE SYNTHESIS RESEARCH & DIAGNOSTIC ANTIBODIES (US) 1992-12-23 WO disclosed
EP-0053815-B1 2-OXOAZETIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1985-05-08 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 (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-20180305830-A1 METHOD FOR PRODUCING AMINO-FUNCTIONAL AROMATIC COMPOUNDS DDC, BTD, BCAT1 MAOA 200/4885CYP3A4 98/4885CASP1 1385/4885

“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.