SCHEMBL4613619

SCHEMBL4613619

O=[N+]([O-])C(Br)(Br)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
FBP1 P09467 4/20 0.38
TSHR P16473 2/20 0.36
KCNN4 O15554 1/20 0.36
CYP19A1 P11511 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CRHBP P24387 1/20 0.34
ATM Q13315 1/20 0.34
CRHR2 Q13324 1/20 0.34
TLR9 Q9NR96 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
PTPN1 P18031 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CES2 O00748 1/20 0.33

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
SCHEMBL3037176 0.80 ALDH1A1 (0.44) ALDH1A1LMNAFBP1TSHRKCNN4
SCHEMBL1167741 0.80 ALDH1A1 (0.44) ALDH1A1LMNAFBP1TSHRKCNN4
SCHEMBL4615537 0.78 ALDH1A1 (0.42) ALDH1A1LMNAFBP1CYP19A1TDP1
SCHEMBL27936749 0.78 ALDH1A1 (0.42) ALDH1A1LMNAFBP1TSHRKCNN4
SCHEMBL28383675 0.77 ALDH1A1 (0.46) ALDH1A1LMNAFBP1TSHRKCNN4
SCHEMBL1194233 0.77 ALDH1A1 (0.46) ALDH1A1LMNAFBP1TSHRKCNN4
SCHEMBL114442 0.77 ALDH1A1 (0.46) ALDH1A1LMNAFBP1TSHRKCNN4
SCHEMBL20942950 0.76 ALDH1A1 (0.44) ALDH1A1LMNAFBP1TSHRKCNN4
SCHEMBL7025394 0.76 ALDH1A1 (0.41) ALDH1A1LMNAFBP1KCNN4KMT2A
SCHEMBL8932003 0.76 MAPT (0.43) ALDH1A1LMNAFBP1KCNN4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210005931-A1 NONAQUEOUS ELECTROLYTE, ENERGY STORAGE DEVICE, AND METHOD FOR PRODUCING ENERGY STORAGE DEVICE GS YUASA INTERNATIONAL LTD. (JP) 2021-01-07 US disclosed
EP-3477758-B1 NONAQUEOUS ELECTROLYTE, POWER STORAGE ELEMENT, AND METHOD FOR PRODUCING POWER STORAGE ELEMENT GS YUASA INT LTD (JP) 2020-12-16 EP disclosed
EP-3477758-A1 NONAQUEOUS ELECTROLYTE, POWER STORAGE ELEMENT, AND METHOD FOR PRODUCING POWER STORAGE ELEMENT GS Yuasa International Ltd. (JP) 2019-05-01 EP disclosed
US-7365063-B2 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
EP-1708713-B1 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D)(1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM HOFFMANN LA ROCHE (CH) 2008-03-12 EP disclosed
US-20070149510-A1 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC 2007-06-28 US disclosed
US-7196087-B2 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
EP-1708713-A1 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D)(1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM F. Hoffman-la Roche AG (CH) 2006-10-11 EP disclosed
WO-2005067933-A1 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D) (1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM F. HOFFMANN-LA ROCHE AG (CH) 2005-07-28 WO disclosed
US-20050165001-A1 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC 2005-07-28 US disclosed
CN-1117736-C Method for producing 2-(3-pyrazolyl-oxymethylene) nitrobenzenes BASF AG (DE) 2003-08-13 CN disclosed
CN-1105701-C Method for preparing substituted benzyl bromides BASF AG (DE) 2003-04-16 CN disclosed
CN-1265639-A Method for preparing substituted benzyl bromides BASF AG (DE) 2000-09-06 CN disclosed
CN-1265653-A Process for preparing 2- (3-pyrazolyl-oxymethylene) nitrobenzene BASF AG (DE) 2000-09-06 CN disclosed
US-6008307-A Process for producing olefin polymers using cationic catalysts EXXON CHEMICAL PATENTS INC (US) 1999-12-28 US disclosed
US-4098831-A NITROBENZOTRICHLORIDE OR BROMIDE PROCESS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-07-04 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 (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-20070149510-A1 Quinazolinone and benzoxazinone derivatives and uses thereof NQO2, MLX, CYP4X1 ALDH1A1 1177/4885LMNA 425/4885FBP1 2022/4885
US-20050165001-A1 Quinazolinone and benzoxazinone derivatives and uses thereof NQO2, MLX, CYP4X1 ALDH1A1 1177/4885LMNA 425/4885FBP1 2022/4885

“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.