SCHEMBL8672

SCHEMBL8672

O=Cc1cc2cc(Br)ccc2nc1Cl

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
MPI P34949 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ERN1 O75460 2/20 0.43
BACE1 P56817 1/20 0.42
CYP2A6 P11509 3/20 0.41
KDR P35968 2/20 0.39
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
NT5E P21589 1/20 0.36
PTPN1 P18031 1/20 0.35

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
SCHEMBL378904 0.88 ALDH1A1 (0.66) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL30129703 0.81 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL6304224 0.81 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL13997 0.80 PSMB5 (0.47) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL790844 0.79 BACE1 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL1880623 0.79 ALDH1A1 (0.78) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL11971423 0.79 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL15941609 0.79 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL12672175 0.79 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL6905045 0.79 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214182-B Benzisothiazole compound and preparation method thereof 佛山湘潭大学绿色智造研究院 2022-12-23 CN claimed
CN-113214182-A Benzisothiazole compound and preparation method thereof 佛山湘潭大学绿色智造研究院 2021-08-06 CN claimed
EP-4688768-A1 NOVEL METTL3 INHIBITORS AND USE THEREOF IN THERAPY Novalix (FR) 2026-02-11 EP disclosed
WO-2024200835-A1 NOVEL METTL3 INHIBITORS AND USE THEREOF IN THERAPY NOVALIX (FR) 2024-10-03 WO disclosed
CN-112574175-B Quinoline compound, preparation method and application thereof 南京长澳医药科技有限公司 2023-11-14 CN disclosed
CN-113214182-B Benzisothiazole compound and preparation method thereof 佛山湘潭大学绿色智造研究院 2022-12-23 CN disclosed
CN-113214182-A Benzisothiazole compound and preparation method thereof 佛山湘潭大学绿色智造研究院 2021-08-06 CN disclosed
WO-2021057190-A1 QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF 上海阳帆医药科技有限公司 2021-04-01 WO disclosed
CN-112574175-A Quinoline compound, preparation method and application thereof 上海阳帆医药科技有限公司 2021-03-30 CN disclosed
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 WO disclosed
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 WO disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504330-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011090911-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-07-28 WO disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO disclosed
WO-2011063272-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO disclosed
WO-2011063272-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO disclosed
WO-2009128262-A1 QUINOLONE DERIVATIVE AND USE THEREOF 武田薬品工業株式会社 (JP) 2009-10-22 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 (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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP CYP1A2 280/4885CYP3A4 836/4885CYP2D6 1124/4885

“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.