SCHEMBL2200357

SCHEMBL2200357

Brc1cccc(-c2cc(Br)ccc2-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 6/20 0.44
MAPK1 P28482 2/20 0.44
PTPRC P08575 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.42
IDO1 P14902 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL30006434 0.91 MAPK1 (0.52) NPC1RAB9ATSHRTP53ALDH1A1
SCHEMBL364027 0.91 MAPK1 (0.52) NPC1RAB9ATSHRTP53ALDH1A1
SCHEMBL28866753 0.90 ALDH1A1 (0.48) NPC1RAB9ATSHRSMN1; SMN2TP53
SCHEMBL28399888 0.90 ALDH1A1 (0.48) NPC1RAB9ATSHRSMN1; SMN2TP53
SCHEMBL2278862 0.89 ALDH1A1 (0.52) NPC1RAB9ATSHRSMN1; SMN2TP53
SCHEMBL4142770 0.87 ALDH1A1 (0.50) NPC1RAB9ATSHRSMN1; SMN2TP53
SCHEMBL2171715 0.87 MAPK1 (0.61) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL2200354 0.87 MAPK1 (0.61) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL19190198 0.87 PTPRC (0.56) NPC1RAB9ATSHRTP53ALDH1A1
SCHEMBL30979958 0.85 NPC1 (0.48) NPC1RAB9ATSHRSMN1; SMN2TP53

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-114605648-B Aluminum phosphinate-containing polymer and preparation method thereof 长春市兆兴新材料技术有限责任公司 2023-04-21 CN claimed
CN-114605648-A Aluminum phosphinate-containing polymer and preparation method thereof 长春市兆兴新材料技术有限责任公司 2022-06-10 CN claimed
JP-6157390-A None JP disclosed
CN-117186405-A High molecular weight polyphenylene sulfide based on molecular structure design and preparation method thereof 苏州双湖化工技术有限公司 2023-12-08 CN disclosed
CN-116234423-A Vertical single-molecule integrated memristor device and preparation method thereof 南开大学 2023-06-06 CN disclosed
CN-114605648-B Aluminum phosphinate-containing polymer and preparation method thereof 长春市兆兴新材料技术有限责任公司 2023-04-21 CN disclosed
CN-114605648-A Aluminum phosphinate-containing polymer and preparation method thereof 长春市兆兴新材料技术有限责任公司 2022-06-10 CN disclosed
US-20210053954-A1 AROMATIC AMINE COMPOUND, COVERING LAYER MATERIAL, AND LIGHT-EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2021-02-25 US disclosed
CN-111393458-B Heterocyclic compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2021-01-01 CN disclosed
CN-111393458-A Heterocyclic compound and organic electroluminescent device thereof 长春海谱润斯科技有限公司 2020-07-10 CN disclosed
US-7976957-B2 Aromatic amine derivative and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-07-12 US disclosed
US-20100141119-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-06-10 US disclosed
EP-1864965-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-12-12 EP disclosed
JP-H06157390-A NEW AROMATIC DIOL COMPOUND AND ITS PRODUCTION TEIJIN LTD 1994-06-03 JP 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-20210053954-A1 AROMATIC AMINE COMPOUND, COVERING LAYER MATERIAL, AND LIGHT-EMITTING ELEMENT TYR, CUL4B, MAOB NPC1 3042/4885RAB9A 3240/4885TSHR 3145/4885
US-20100141119-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME EML4, TYR, PNMT NPC1 4700/4885RAB9A 2498/4885TSHR 2857/4885

“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.