SCHEMBL1437455

SCHEMBL1437455

CN(CCOc1cc(CO)nc(CO)c1)CC(C)(C)S

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.31
FDPS P14324 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL12161091 0.79 SIGMAR1 (0.35)
SCHEMBL18900144 0.74 LTA4H (0.42)
SCHEMBL12690466 0.73 CYP1A2 (0.38)
SCHEMBL18900347 0.70 LTA4H (0.46)
SCHEMBL1437449 0.70 LMNA (0.31) LMNAMAPTKDM4E
SCHEMBL12812615 0.69 PSMB1 (0.42) LMNAALDH1A1KDM4E
SCHEMBL1437799 0.69 LMNA (0.32) LMNAKDM4E
SCHEMBL525962 0.67 TAAR1 (0.42) KDM4EKCNH2
SCHEMBL525971 0.66 LMNA (0.30) LMNA
SCHEMBL2610786 0.65 NOS3 (0.39) KCNH2

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
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-8481042-B2 Conjugates of pyrrolo[1,4]benzodiazepine dimers as anticancer agents SANOFI (FR) 2013-07-09 US disclosed
US-8481042-B2 Conjugates of pyrrolo[1,4]benzodiazepine dimers as anticancer agents SANOFI (FR) 2013-07-09 US disclosed
US-8481042-B2 Conjugates of pyrrolo[1,4]benzodiazepine dimers as anticancer agents SANOFI (FR) 2013-07-09 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
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
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

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-20120244172-A1 Conjudates of Pyrrolo[1,4]Benzodiazepine Dimers As Anticancer Agents GABRA4, GABRA1, GABRA2 LMNA 4159/4885CHRNB2 912/4885CHRNA4 178/4885
US-20140155590-A1 Conjugates of Pyrrolo[1,4]Benzodiazepine Dimers As Anticancer Agents GABRA4, GABRP, GABRA1 LMNA 4055/4885CHRNB2 1179/4885CHRNA4 290/4885

“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.