SCHEMBL458053

SCHEMBL458053

O=C1Nc2c(ccc3ccccc23)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.47
DAO P14920 2/20 0.47
DNMT1 P26358 1/20 0.47
NSD2 O96028 1/20 0.47
BCHE P06276 1/20 0.47
CASP3 P42574 1/20 0.45
CASP2 P42575 1/20 0.45
CASP7 P55210 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 2/20 0.45
HPGD P15428 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
NCOA1 Q15788 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL31026300 1.00 CES1 (0.47) CES1DAODNMT1NSD2BCHE
SCHEMBL31026294 1.00 CES1 (0.47) CES1DAODNMT1NSD2BCHE
SCHEMBL31026293 1.00 CES1 (0.47) CES1DAODNMT1NSD2BCHE
SCHEMBL3200379 0.78 ALDH1A1 (0.40) DNMT1ALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL6317220 0.78 ALDH1A1 (0.40) DNMT1ALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL31531054 0.77 CES1 (0.51) CES1DAONSD2BCHECASP3
SCHEMBL21792472 0.75 SIRT2 (0.37) DAODNMT1ALDH1A1CYP1A2HPGD
SCHEMBL10566907 0.72 MAPT (0.53) CES1DAONSD2BCHECYP1A2
SCHEMBL31016527 0.72 MAPT (0.53) CES1DAONSD2BCHECYP1A2
SCHEMBL57037 0.71 DNMT1 (0.53) CES1DNMT1CASP3CASP2CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387598-B1 BLACK MATRIX FOR COLOUR FILTERS BASF SE (DE) 2014-06-04 EP disclosed
US-8691002-B2 Organic black pigments and their preparation BASF SE (DE) 2014-04-08 US disclosed
US-8691002-B2 Organic black pigments and their preparation BASF SE (DE) 2014-04-08 US disclosed
US-8669026-B2 Black matrix for colour filters BASF SE (DE) 2014-03-11 US disclosed
US-8669026-B2 Black matrix for colour filters BASF SE (DE) 2014-03-11 US disclosed
EP-2240175-B1 COMPOUNDS WITH MDR1-INVERSE ACTIVITY US GOV HEALTH & HUMAN SERV (US) 2013-01-02 EP disclosed
WO-2012033601-A1 THIOSEMICARBAZONES WITH MDR1 - INVERSE ACTIVITY THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2012-03-15 WO disclosed
US-20110294385-A1 ORGANIC BLACK PIGMENTS AND THEIR PREPARATION BASF SE (DE) 2011-12-01 US disclosed
US-20110294385-A1 ORGANIC BLACK PIGMENTS AND THEIR PREPARATION BASF SE (DE) 2011-12-01 US disclosed
US-7994333-B2 Methods and compositions for selectin inhibition WYETH LLC (US) 2011-08-09 US disclosed
EP-1326597-A2 METHODS FOR MODULATING BLADDER FUNCTION AMERICAN HOME PRODUCTS CORPORATION (US) 2003-07-16 EP disclosed
WO-2002032419-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2002-04-25 WO disclosed
EP-0747354-B1 3-Substituted oxindole derivatives as potassium channel modulators BRISTOL MYERS SQUIBB CO (US) 2000-08-16 EP disclosed
US-5602169-A USEFUL IN REDUCING NEURONAL DAMAGE DURING ISCHEMIC STROKE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-02-11 US disclosed
EP-0747354-A1 3-Substituted oxindole derivatives as potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed
US-5565483-A ADMINISTERING AS THERAPY FOR ISCHEMIA, CONVULSIONS OR ASTHMA BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-15 US disclosed
EP-0432648-B1 Isatine derivatives, their preparation and use NEUROSEARCH AS (DK) 1995-08-02 EP disclosed
EP-0503349-B1 Hydrazone derivatives, their preparation and use NEUROSEARCH AS (DK) 1995-01-04 EP disclosed
EP-0503349-A1 Hydrazone derivatives, their preparation and use NEUROSEARCH A/S (DK) 1992-09-16 EP disclosed
EP-0432648-A2 Isatine derivatives, their preparation and use NEUROSEARCH A/S (DK) 1991-06-19 EP 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-20110294385-A1 ORGANIC BLACK PIGMENTS AND THEIR PREPARATION IK, CRY1, PAH CES1 3271/4885DAO 3741/4885DNMT1 850/4885

“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.