SCHEMBL6610343

SCHEMBL6610343

O=[N+]([O-])c1ncc2ccccc2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 5/20 0.42
PIM1 P11309 3/20 0.42
PIN1 Q13526 3/20 0.42
CYP3A4 P08684 1/20 0.42
PIM3 Q86V86 1/20 0.42
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 3/20 0.40
GPR3 P46089 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
TSHR P16473 2/20 0.38
PDE10A Q9Y233 1/20 0.38
CYP2A6 P11509 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL10939701 0.81 CYP3A4 (0.56) MEN1KMT2AALDH1A1PIM1CYP3A4
SCHEMBL4619852 0.79 CASP6 (0.51) MEN1KMT2AALDH1A1PIM1CYP3A4
SCHEMBL12490166 0.76 MAPT (0.45) MEN1KMT2AALDH1A1PIM1PIN1
SCHEMBL28661417 0.75 ALDH1A1 (0.44) MEN1KMT2AALDH1A1PIN1CYP3A4
SCHEMBL10902960 0.72 AGTR1 (0.47) MEN1KMT2AALDH1A1PIM1CYP3A4
SCHEMBL28270294 0.71 CYP19A1 (0.50) MEN1KMT2AALDH1A1PIM1CYP3A4
SCHEMBL27791799 0.71 KDM4E (0.50) ALDH1A1CYP3A4MAPTKDM4EGPR3
SCHEMBL15159218 0.71 NQO2 (0.43) MEN1KMT2AALDH1A1PIM1CYP3A4
SCHEMBL21632212 0.70 MAOA (0.53) MEN1KMT2AALDH1A1CYP3A4MAPT
SCHEMBL21956930 0.70 KDM4E (0.48) MEN1KMT2AALDH1A1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9530967-B2 Heterocyclic compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-27 US disclosed
US-9530967-B2 Heterocyclic compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-27 US disclosed
US-9530967-B2 Heterocyclic compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-27 US disclosed
US-9257656-B2 Organic light-emitting diodes SAMSUNG DISPLAY CO., LTD. (KR) 2016-02-09 US disclosed
US-20140319485-A1 ORGANIC LIGHT-EMITTING DIODES SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-30 US disclosed
US-20140319485-A1 ORGANIC LIGHT-EMITTING DIODES SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-30 US disclosed
US-20140319485-A1 ORGANIC LIGHT-EMITTING DIODES SAMSUNG DISPLAY CO., LTD. (KR) 2014-10-30 US disclosed
US-20130200339-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2013-08-08 US disclosed
US-20130200339-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2013-08-08 US disclosed
US-20130200339-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2013-08-08 US disclosed
US-6825347-B2 TRIAZOLE OR IMIDAZOLE OXIDE COMPOUND WITH A POSITIVELY CHARGED ELECTRON WITHDRAWING GROUP (A QUATERNARY NITROGEN CONTAINING AMIDINE OR IMINE GROUP); USEFUL IN EFFECTING THE ACYLATION STEP IN AMIDE FORMATION (PEPTIDE SYNTHESIS) RESEARCH CORPORATION TECHNOLOGIES, INC. 2004-11-30 US disclosed
EP-1395584-A4 URONIUM AND IMMONIUM SALTS FOR PEPTIDE COUPLING CARPINO LOUIS A (US) 2004-11-03 EP disclosed
EP-1395584-A1 URONIUM AND IMMONIUM SALTS FOR PEPTIDE COUPLING Carpino, Louis A. (US) 2004-03-10 EP disclosed
US-20030125561-A1 Uronium and immonium salts for peptide coupling NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-07-03 US disclosed
WO-2002094822-A1 URONIUM AND IMMONIUM SALTS FOR PEPTIDE COUPLING CARPINO LOUIS A (US) 2002-11-28 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 (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-20030125561-A1 Uronium and immonium salts for peptide coupling NGLY1, VIP, IAPP MEN1 373/4885KMT2A 4828/4885ALDH1A1 3452/4885
US-20130200339-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME CRY1, CYP1A1, CRY2 MEN1 1436/4885KMT2A 1186/4885ALDH1A1 8/4885

“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.