SCHEMBL525962

SCHEMBL525962

NCCOc1cc(CO)nc(CO)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
LTA4H P09960 2/20 0.37
PLA2G2A P14555 1/20 0.37
AKT1 P31749 2/20 0.35
ROCK2 O75116 2/20 0.35
PRKACA P17612 2/20 0.35
PRKCD Q05655 2/20 0.35
ROCK1 Q13464 2/20 0.35
DYRK1A Q13627 2/20 0.35
CHUK O15111 1/20 0.35
DYRK3 O43781 1/20 0.35
RPS6KA5 O75582 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
PHKG2 P15735 1/20 0.35
CLK2 P49760 1/20 0.35
PRKX P51817 1/20 0.35
PRKG2 Q13237 1/20 0.35
PRKG1 Q13976 1/20 0.35

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
SCHEMBL2610786 0.90 NOS3 (0.39) TAAR1AKT1ROCK2PRKACAROCK1
SCHEMBL2610811 0.89 NCF1 (0.38) TAAR1KDM4E
SCHEMBL2610805 0.89 NCF1 (0.38) TAAR1KDM4E
SCHEMBL2610783 0.89 NOS3 (0.38) KCNH2
SCHEMBL2618723 0.76 CYP1A2 (0.38) KCNH2
SCHEMBL2610782 0.75 TAAR1 (0.45) TAAR1LTA4HPLA2G2AAKT1CYP19A1
SCHEMBL13411802 0.75 TAAR1 (0.59) TAAR1LTA4HPLA2G2AAKT1ROCK2
SCHEMBL2618732 0.74 CYP1A2 (0.37) KCNH2
SCHEMBL2610731 0.74 HTR1B (0.49) KDM4E
Hydrochloric Acid SCHEMBL1743975 0.73 TAAR1 (0.43) TAAR1LTA4HPLA2G2ACYP19A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598507-B1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2017-05-31 EP disclosed
EP-2598507-B1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2017-05-31 EP disclosed
US-9056914-B2 Anticancer derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-06-16 US disclosed
US-9056914-B2 Anticancer derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-06-16 US disclosed
US-9056914-B2 Anticancer derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-06-16 US disclosed
US-20140155590-A1 Conjugates of Pyrrolo[1,4]Benzodiazepine Dimers As Anticancer Agents SANOFI SA (FR) 2014-06-05 US disclosed
US-20140155590-A1 Conjugates of Pyrrolo[1,4]Benzodiazepine Dimers As Anticancer Agents SANOFI SA (FR) 2014-06-05 US disclosed
US-20140155590-A1 Conjugates of Pyrrolo[1,4]Benzodiazepine Dimers As Anticancer Agents SANOFI SA (FR) 2014-06-05 US disclosed
EP-2470547-B1 CONJUGATES OF PYRROLO[1,4]BENZODIAZEPINE DIMERS AS ANTICANCER AGENTS SANOFI SA (FR) 2014-05-14 EP disclosed
EP-2470547-B1 CONJUGATES OF PYRROLO[1,4]BENZODIAZEPINE DIMERS AS ANTICANCER AGENTS SANOFI SA (FR) 2014-05-14 EP disclosed
US-20120244172-A1 Conjudates of Pyrrolo[1,4]Benzodiazepine Dimers As Anticancer Agents SANOFI (FR) 2012-09-27 US disclosed
US-20120244172-A1 Conjudates of Pyrrolo[1,4]Benzodiazepine Dimers As Anticancer Agents SANOFI (FR) 2012-09-27 US disclosed
US-20120244172-A1 Conjudates of Pyrrolo[1,4]Benzodiazepine Dimers As Anticancer Agents SANOFI (FR) 2012-09-27 US disclosed
EP-2470547-A1 CONJUGATES OF PYRROLO[1,4]BENZODIAZEPINE DIMERS AS ANTICANCER AGENTS SANOFI (FR) 2012-07-04 EP disclosed
US-8163736-B2 Cytotoxic agents comprising new tomaymycin derivatives SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
WO-2012014147-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-02 WO disclosed
WO-2012014147-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-02 WO disclosed
WO-2011023883-A1 CONJUGATES OF PYRROLO[1,4]BENZODIAZEPINE DIMERS AS ANTICANCER AGENTS SANOFI-AVENTIS (FR) 2011-03-03 WO disclosed
WO-2011023883-A1 CONJUGATES OF PYRROLO[1,4]BENZODIAZEPINE DIMERS AS ANTICANCER AGENTS SANOFI-AVENTIS (FR) 2011-03-03 WO disclosed
US-20090036431-A1 Cytotoxic Agents Comprising New Tomaymycin Derivatives SANOFI-AVENTIS (FR) 2009-02-05 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 (3 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-20090036431-A1 Cytotoxic Agents Comprising New Tomaymycin Derivatives TOMM70, TOMM34, TOMM40 TAAR1 4874/4885LTA4H 3449/4885PLA2G2A 3703/4885
US-20120244172-A1 Conjudates of Pyrrolo[1,4]Benzodiazepine Dimers As Anticancer Agents GABRA4, GABRA1, GABRA2 TAAR1 2118/4885LTA4H 3957/4885PLA2G2A 4269/4885
US-20140155590-A1 Conjugates of Pyrrolo[1,4]Benzodiazepine Dimers As Anticancer Agents GABRA4, GABRP, GABRA1 TAAR1 2106/4885LTA4H 3652/4885PLA2G2A 4079/4885

“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.