SCHEMBL5870169

SCHEMBL5870169

CC=[N+]([O-])Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.39
TP53 P04637 1/20 0.39
MAOB P27338 1/20 0.37
BCHE P06276 1/20 0.36
CALM1 P0DP23 1/20 0.36
CYP2A6 P11509 1/20 0.36
HTR2A P28223 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
IDO1 P14902 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL13624829 1.00 LOXL2 (0.39) LOXL2TP53MAOBBCHECALM1
SCHEMBL14631643 1.00 LOXL2 (0.39) LOXL2TP53MAOBBCHECALM1
SCHEMBL15944116 0.78 TP53 (0.41) TP53MAOBBCHECALM1ALDH1A1
SCHEMBL29094830 0.78 TP53 (0.41) TP53MAOBBCHECALM1ALDH1A1
SCHEMBL29094779 0.77 TAAR1 (0.38) TP53CYP2A6SMN1; SMN2TAAR1TSHR
SCHEMBL27676164 0.76 LOXL2 (0.42) LOXL2TP53MAOBCALM1CYP2A6
SCHEMBL268060 0.76 BCHE (0.41) MAOBBCHECALM1ALDH1A1TSHR
SCHEMBL20562244 0.76 BCHE (0.41) MAOBBCHECALM1ALDH1A1TSHR
SCHEMBL27507506 0.76 MAOB (0.46) LOXL2TP53MAOBBCHECALM1
SCHEMBL76727 0.76 BCHE (0.41) MAOBBCHECALM1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7066990-B2 Ink jet ink and recording material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-06-27 US claimed
EP-1587887-A1 INK-JET INK AND RECORDING MATERIAL Ciba SC Holding AG (CH) 2005-10-26 EP claimed
US-20040170779-A1 Ink jet ink and recording material CIBA SPECIALTY CHEMICALS CORP. 2004-09-02 US claimed
WO-2004067652-A1 INK-JET INK AND RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-08-12 WO claimed
US-9676715-B2 Bis-indolic derivatives, a process for preparing the same and their uses as a drug UNIVERSITE JOSEPH FOURIER (FR) 2017-06-13 US disclosed
US-20140309272-A1 BIS-INDOLIC DERIVATIVES, A PROCESS FOR PREPARING THE SAME AND THEIR USES AS A DRUG UNIVERSITE JOSEPH FOURIER (FR) 2014-10-16 US disclosed
EP-2548865-B1 Novel bis-indolic derivatives, their uses in particular as antibacterials UNIV JOSEPH FOURIER (FR) 2014-03-05 EP disclosed
EP-2548864-B1 NOVEL BIS-INDOLIC DERIVATIVES, A PROCESS FOR PREPARING THE SAME AND THEIR USES AS A DRUG UNIV JOSEPH FOURIER (FR) 2014-02-19 EP disclosed
EP-2548865-A1 Novel bis-indolic derivatives, their uses in particular as antibacterials Université Joseph Fourier (FR) 2013-01-23 EP disclosed
EP-2548864-A1 NOVEL BIS-INDOLIC DERIVATIVES, A PROCESS FOR PREPARING THE SAME AND THEIR USES AS A DRUG Université Joseph Fourier (FR) 2013-01-23 EP disclosed
CN-100354262-C Sterically hindered amine compound CIBA SC HOLDING AG (CH) 2007-12-12 CN disclosed
US-7066990-B2 Ink jet ink and recording material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-06-27 US disclosed
US-20040170779-A1 Ink jet ink and recording material CIBA SPECIALTY CHEMICALS CORP. 2004-09-02 US disclosed
WO-2004067652-A1 INK-JET INK AND RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-08-12 WO disclosed
CN-1120165-C Block oligomers containing 2,2,6, 6-tetramethyl-4-piperidyl groups as stabilizers for organic materials CIBA SC HOLDING AG (CH) 2003-09-03 CN disclosed
CN-1106398-C Block oligomers containing 1-hydrocarbyloxy-2,2,6,6-tetramethyl-4-piperidyl groups as stabilizers for organic materials CIBA SC HOLDING AG (CH) 2003-04-23 CN disclosed
CN-1257863-A Sterically hindered amine compound CIBA SC HOLDING AG (CH) 2000-06-28 CN disclosed
CN-1257495-A Block oligomers containing 1-hydrocarbyloxy-2,2,6,6-tetramethyl-4-piperidyl groups as stabilizers for organic materials CIBA SC HOLDING AG (CH) 2000-06-21 CN disclosed
CN-1257492-A Block oligomers containing 1-hydrocarbyloxy-2, 2,6, 6-tetramethyl-4-piperidyl groups as stabilizers for organic materials CIBA SC HOLDING AG (CH) 2000-06-21 CN disclosed
CN-1165138-A Block oligomers containing 2, 2, 6, 6-tetramethyl-4-piperidyl groups as stabilizers for organic materials CIBA GEIGY AG (CH) 1997-11-19 CN 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-20140309272-A1 BIS-INDOLIC DERIVATIVES, A PROCESS FOR PREPARING THE SAME AND THEIR USES AS A DRUG IDO1, ITPA, IDO2 LOXL2 4456/4885TP53 2601/4885MAOB 23/4885

“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.