SCHEMBL768764

SCHEMBL768764

O=[N+]([O-])c1cc(Br)cc2c1NCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.54
AKR1B1 P15121 1/20 0.42
PARP10 Q53GL7 2/20 0.39
PARP11 Q9NR21 1/20 0.39
ERN1 O75460 1/20 0.38
CTSL P07711 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PARP1 P09874 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
S100A4 P26447 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
HTR2B P41595 1/20 0.36
PNMT P11086 3/20 0.34
ADRA2A P08913 1/20 0.34
RYR1 P21817 1/20 0.32
FKBP1A P62942 1/20 0.32
FBP1 P09467 1/20 0.32

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
Quinoline SCHEMBL27720870 0.83 ALDH1A1 (0.40) ALDH1A1MAPTAKR1B1CYP11B1CYP11B2
SCHEMBL3899701 0.81 CTSL (0.49) ALDH1A1MAPTCTSLCYP11B1CYP11B2
SCHEMBL12920004 0.80 ALDH1A1 (0.46) ALDH1A1MAPTPARP10PARP11CTSL
SCHEMBL1119381 0.78 CYP11B1 (0.54) ALDH1A1MAPTAKR1B1ERN1CYP11B1
SCHEMBL28094727 0.76 MAPT (0.37) ALDH1A1MAPTAKR1B1PARP1GPR35
SCHEMBL30288495 0.75 CA2 (0.51) ALDH1A1MAPTPNMTADRA2A
SCHEMBL23473137 0.75 AKR1B1 (0.43) ALDH1A1MAPTAKR1B1ERN1S100A4
SCHEMBL7344244 0.74 AKR1B1 (0.38) ALDH1A1MAPTAKR1B1ERN1HTR2A
SCHEMBL3920383 0.73 ALDH1A1 (0.50) ALDH1A1MAPTPARP10PARP11CTSL
SCHEMBL17042492 0.73 MAPT (0.41) ALDH1A1MAPTAKR1B1ERN1S100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses L'OREAL (FR) 2004-11-25 US claimed
US-4013404-A Method of dyeing hair with indolines, indoles and indazoles AMERICAN CYANAMID COMPANY (US) 1977-03-22 US claimed
EP-4613752-A1 POLYCYCLIC POLY(ADP-RIBOSE) POLYMERASE SELECTIVE INHIBITOR Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2025-09-10 EP disclosed
US-20250270224-A1 POLYCYCLIC POLY(ADP-RIBOSE) POLYMERASE SELECTIVE INHIBITOR Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2025-08-28 US disclosed
CN-120092010-A Polycyclic poly (ADP-ribose) polymerase selective inhibitors 轩竹生物科技股份有限公司 2025-06-03 CN disclosed
CN-114829368-B Method for sequencing by synthesis using a continuous labelling scheme 豪夫迈·罗氏有限公司 2024-06-04 CN disclosed
WO-2024093956-A1 POLYCYCLIC POLY(ADP-RIBOSE) POLYMERASE SELECTIVE INHIBITOR 山东轩竹医药科技有限公司 2024-05-10 WO disclosed
EP-3898643-B1 3' REVERSIBLY PROTECTED NUCLEOTIDES FOR SEQUENCING BY SYNTHESIS USING NANOPORES ROCHE DIAGNOSTICS GMBH (DE) 2024-04-17 EP disclosed
US-20240058753-A1 ELECTROPHORETIC DEVICES AND METHODS FOR NEXT-GENERATION SEQUENCING LIBRARY PREPARATION ROCHE SEQUENCING SOLUTIONS INC (US) 2024-02-22 US disclosed
US-20240010668-A1 3' PROTECTED NUCLEOTIDES ROCHE SEQUENCING SOLUTIONS INC (US) 2024-01-11 US disclosed
US-11773130-B2 3′ protected nucleotides Roche Sequencing Solutions, Inc. (US) 2023-10-03 US disclosed
US-5445934-A Selective photoremovable groups on surface AFFYMAX TECHNOLOGIES N.V. (AN) 1995-08-29 US disclosed
US-5424186-A Biosynthesis of oligonucleotides on solid substrate by irradiation of predefined segments to remove blocking agents; then coupling with nucleotide AFFYMAX TECHNOLOGIES N.V. (AN) 1995-06-13 US disclosed
US-5405783-A Removing photoremovable protective group from region of substrate, contacting with protected amino acid, repeating to form peptide AFFYMAX TECHNOLOGIES N.V. (AN) 1995-04-11 US disclosed
EP-0619321-A1 Very large scale immobilized peptide synthesis AFFYMAX TECHNOLOGIES N.V. (AN) 1994-10-12 EP disclosed
EP-0476014-B1 VERY LARGE SCALE IMMOBILIZED POLYMER SYNTHESIS AFFYMAX TECH NV (AN) 1994-08-31 EP disclosed
US-5143854-A LARGE SCALE PHOTOLITHOGRAPHIC SOLID PHASE SYNTHESIS OF POLYPEPTIDES AND RECEPTOR BINDING SCREENING THEREOF AFFYMAX TECHNOLOGIES N.V. (AN) 1992-09-01 US disclosed
EP-0476014-A1 VERY LARGE SCALE IMMOBILIZED POLYMER SYNTHESIS. AFFYMAX TECH NV (NL) 1992-03-25 EP disclosed
WO-1990015070-A1 VERY LARGE SCALE IMMOBILIZED PEPTIDE SYNTHESIS AFFYMAX TECHNOLOGIES N.V. (AN) 1990-12-13 WO disclosed
US-4013404-A Method of dyeing hair with indolines, indoles and indazoles AMERICAN CYANAMID COMPANY (US) 1977-03-22 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 (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-20240010668-A1 3' PROTECTED NUCLEOTIDES NT5C3B, NSUN3, NSUN2 ALDH1A1 4057/4885MAPT 4464/4885AKR1B1 4174/4885
US-20250270224-A1 POLYCYCLIC POLY(ADP-RIBOSE) POLYMERASE SELECTIVE INHIBITOR PARP1, PARP11, PARP2 ALDH1A1 1101/4885MAPT 2036/4885AKR1B1 967/4885
US-11773130-B2 3′ protected nucleotides NT5C3B, NSUN3, NSUN2 ALDH1A1 4016/4885MAPT 4512/4885AKR1B1 4138/4885
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses KRT18, CDC73, PYCR1 ALDH1A1 1097/4885MAPT 1406/4885AKR1B1 239/4885

“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.