SCHEMBL1143224

SCHEMBL1143224

CCOC(=O)C1=NCCc2cc(OC)c([N+](=O)[O-])cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 6/20 0.43
HPGD P15428 2/20 0.42
MAPT P10636 4/20 0.41
MAOA P21397 3/20 0.41
GAA P10253 1/20 0.41
KCNK3 O14649 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL1202228 0.86 KDM4E (0.57) KDM4EHSD17B10KMT2AALDH1A1HPGD
SCHEMBL14899552 0.83 KDM4E (0.49) KDM4EHSD17B10KMT2AALDH1A1HPGD
SCHEMBL30184227 0.75 CYP2D6 (0.55) KDM4EHSD17B10ALDH1A1MAPTMAOA
SCHEMBL10515648 0.74 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL1143122 0.74 KDM4E (0.46) KDM4EHSD17B10KMT2AALDH1A1HPGD
SCHEMBL6022766 0.72 KMT2A (0.59) KDM4EKMT2AALDH1A1HPGDGAA
SCHEMBL6022769 0.72 KMT2A (0.59) KDM4EKMT2AALDH1A1HPGDGAA
SCHEMBL1675661 0.71 ALDH1A1 (0.50) KDM4EKMT2AALDH1A1HPGDMAPT
SCHEMBL4123425 0.70 TSHR (0.43) KDM4EKMT2AALDH1A1HPGDMAPT
SCHEMBL2333730 0.70 HTT (0.59) KDM4EKMT2AALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459560-B1 RING-ANNULATED DIHYDROPYRROLO[2,L-A]ISOQUINOLINES MERCK SHARP & DOHME (NL) 2015-08-19 EP disclosed
EP-2459560-B1 RING-ANNULATED DIHYDROPYRROLO[2,L-A]ISOQUINOLINES MERCK SHARP & DOHME (NL) 2015-08-19 EP disclosed
US-8431564-B2 Ring-annulated dihydropyrrolo[2,1-α]isoquinolines MERCK SHARP & DOHME B.V. (NL) 2013-04-30 US disclosed
US-8431564-B2 Ring-annulated dihydropyrrolo[2,1-α]isoquinolines MERCK SHARP & DOHME B.V. (NL) 2013-04-30 US disclosed
US-8394789-B2 (Dihydro)pyrrolo[2,1-α]isoquinolines MSD OSS B.V. (NL) 2013-03-12 US disclosed
US-8394789-B2 (Dihydro)pyrrolo[2,1-α]isoquinolines MSD OSS B.V. (NL) 2013-03-12 US disclosed
US-8394789-B2 (Dihydro)pyrrolo[2,1-α]isoquinolines MSD OSS B.V. (NL) 2013-03-12 US disclosed
EP-2459560-A1 RING-ANNULATED DIHYDROPYRROLO[2,L-A]ISOQUINOLINES MSD Oss B.V. (NL) 2012-06-06 EP disclosed
EP-2252611-B1 (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES ORGANON NV (NL) 2011-10-05 EP disclosed
EP-2252611-B1 (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES ORGANON NV (NL) 2011-10-05 EP disclosed
US-20110039832-A1 DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. ORGANON (NL) 2011-02-17 US disclosed
US-20110039832-A1 DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. ORGANON (NL) 2011-02-17 US disclosed
US-20110039832-A1 DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. ORGANON (NL) 2011-02-17 US disclosed
US-20110028450-A1 Ring-annulated dihydropyrrolo[2,1-alpha]isoquinolines N.V. ORGANON (NL) 2011-02-03 US disclosed
US-20110028450-A1 Ring-annulated dihydropyrrolo[2,1-alpha]isoquinolines N.V. ORGANON (NL) 2011-02-03 US disclosed
WO-2011012600-A1 RING-ANNULATED DIHYDROPYRROLO[2,L-A]ISOQUINOLINES N.V. ORGANON (NL) 2011-02-03 WO disclosed
WO-2011012600-A1 RING-ANNULATED DIHYDROPYRROLO[2,L-A]ISOQUINOLINES N.V. ORGANON (NL) 2011-02-03 WO disclosed
EP-2252611-A1 (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. Organon (NL) 2010-11-24 EP disclosed
WO-2009098283-A1 (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. ORGANON (NL) 2009-08-13 WO disclosed
WO-2009098283-A1 (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. ORGANON (NL) 2009-08-13 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-20110039832-A1 DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES PKD2, PKD1, CATSPER1 KDM4E 2134/4885HSD17B10 747/4885KMT2A 1445/4885
US-20110028450-A1 Ring-annulated dihydropyrrolo[2,1-alpha]isoquinolines CATSPER1, QDPR, NASP KDM4E 2195/4885HSD17B10 851/4885KMT2A 1337/4885

“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.