SCHEMBL9859482

SCHEMBL9859482

O=[N+]([O-])c1cc(Br)c(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.63
CYP3A4 P08684 2/20 0.63
GPR35 Q9HC97 6/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSP90AA1 P07900 1/20 0.49
TDP1 Q9NUW8 4/20 0.46
HPGD P15428 3/20 0.46
HIF1A Q16665 3/20 0.46
ALOX15 P16050 2/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TTR P02766 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
RECQL P46063 1/20 0.46
PMP22 Q01453 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL213849 0.85 ALDH1A1 (0.62) ALDH1A1CYP3A4GPR35MEN1KMT2A
SCHEMBL10818750 0.85 ALDH1A1 (0.62) ALDH1A1CYP3A4GPR35MEN1KMT2A
Hydrochloric Acid SCHEMBL10582751 0.83 ALDH1A1 (0.60) ALDH1A1CYP3A4GPR35MEN1KMT2A
Ammonia Solution, Strong SCHEMBL11695961 0.83 ALDH1A1 (0.60) ALDH1A1CYP3A4GPR35MEN1KMT2A
SCHEMBL28683782 0.82 ALDH1A1 (0.72) ALDH1A1CYP3A4GPR35MEN1KMT2A
SCHEMBL1494433 0.82 GPR35 (0.47) ALDH1A1CYP3A4GPR35TDP1HPGD
SCHEMBL1282898 0.79 ALDH1A1 (0.68) ALDH1A1CYP3A4GPR35MEN1KMT2A
SCHEMBL496363 0.79 ALDH1A1 (0.75) ALDH1A1CYP3A4GPR35MEN1KMT2A
SCHEMBL31264960 0.79 ALDH1A1 (0.75) ALDH1A1CYP3A4GPR35MEN1KMT2A
SCHEMBL26694938 0.78 ALDH1A1 (0.50) ALDH1A1CYP3A4GPR35MEN1KMT2A

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
EP-0402485-A1 METHOD OF OBTAINING 2-BROMINE-4,6-DINITROCHLOROBENZENE ANDRIEVSKY, Alexandr Mikhailovich (SU) 1990-12-19 EP claimed
US-20170369470-A1 Cyclic Compounds and Uses Thereof Karyopharm Therapeutics Inc. 2017-12-28 US disclosed
US-20170369470-A1 Cyclic Compounds and Uses Thereof Karyopharm Therapeutics Inc. 2017-12-28 US disclosed
WO-2016100515-A1 CYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2016-06-23 WO disclosed
EP-0408759-A1 METHOD OF OBTAINING BROMATED AROMATIC AND HETEROCYCLIC COMBINATIONS CONTAINING ACCEPTOR GROUPS ANDRIEVSKY, Alexandr Mikhailovich (SU) 1991-01-23 EP disclosed
EP-0402486-A1 METHOD OF OBTAINING 2-BROMINE-4,6-DINITROANILINE ANDRIEVSKY, Alexandr Mikhailovich (SU) 1990-12-19 EP disclosed
EP-0402486-A1 METHOD OF OBTAINING 2-BROMINE-4,6-DINITROANILINE ANDRIEVSKY, Alexandr Mikhailovich (SU) 1990-12-19 EP disclosed
EP-0402485-A1 METHOD OF OBTAINING 2-BROMINE-4,6-DINITROCHLOROBENZENE ANDRIEVSKY, Alexandr Mikhailovich (SU) 1990-12-19 EP disclosed
EP-0402485-A1 METHOD OF OBTAINING 2-BROMINE-4,6-DINITROCHLOROBENZENE ANDRIEVSKY, Alexandr Mikhailovich (SU) 1990-12-19 EP disclosed
CN-1044808-A Process for preparing brominated aromatic and heterocyclic compounds containing acceptor groups ALEXANDR MIKHAILOVICH ANDRIEVS (SU) 1990-08-22 CN disclosed
CN-1044093-A Preparation method of 2-bromo-4, 6-dinitrochlorobenzene ANDRIEVSKY ALEXANDR M (SU) 1990-07-25 CN disclosed
CN-1043933-A Preparation method of 2-bromo-4, 6-dinitroaniline ALEXA DR MIKHAILOVICH ANDRIEVS (SU) 1990-07-18 CN disclosed
WO-1990007489-A1 METHOD OF OBTAINING 2-BROMINE-4,6-DINITROANILINE ANDRIEVSKY ALEXANDR M (SU) 1990-07-12 WO disclosed
WO-1990007488-A1 METHOD OF OBTAINING 2-BROMINE-4,6-DINITROCHLOROBENZENE ANDRIEVSKY ALEXANDR M (SU) 1990-07-12 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-20170369470-A1 Cyclic Compounds and Uses Thereof MALT1, BCL9, BCL6 ALDH1A1 2172/4885CYP3A4 3179/4885GPR35 2481/4885

“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.