SCHEMBL5200960

SCHEMBL5200960

COc1cc2c(cc1OC)CN(CC(=O)c1cc(C(=O)c3ccc(SC)cc3)n(C)c1)CC2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
GFER P55789 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
ATM Q13315 1/20 0.44
RAB9A P51151 1/20 0.43
ABCG2 Q9UNQ0 3/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ABCB1 P08183 1/20 0.42

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
SCHEMBL2857290 0.90 ALDH1A1 (0.62) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL6959055 0.89 KMT2A (0.57) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL6953088 0.89 ABCG2 (0.52) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL6953945 0.86 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL6951470 0.85 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL5200481 0.76 DRD2 (0.52) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL5200925 0.75 HTR1A (0.55) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL3051805 0.72 DHCR7 (0.62) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL5278414 0.72 USP4 (0.46) ALDH1A1KMT2AMAPTMEN1NPSR1
Bromide SCHEMBL8790411 0.70 ABCB1 (0.62) ALDH1A1KMT2AMAPTMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351950-A2 ISOINDOLYL AND ISOQUINOLINYL AROYL PYRROLE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-10-15 EP claimed
US-6492387-B2 ADMINISTERED AS AN ANTICONVULSANT AGENT, ANTIEPILEPTIC AGENT, NEUROPROTECTIVE AGENT, MUSCLE RELAXANT AGENT AND AGENT FOR THE TREATMENT OF NEUROPATHIC PAIN. ORTHO-MCNEIL PHARAMACEUTICAL, INC. 2002-12-10 US claimed
US-20020128286-A1 Isoindolyl and isoquinolinyl aroyl pyrrole compounds ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-09-12 US claimed
WO-2002057253-A2 ISOINDOLYL AND ISOQUINOLINYL AROYL PYRROLE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-07-25 WO claimed
EP-1351950-B1 ISOQUINOLINYL AROYL PYRROLE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORTHO MCNEIL PHARM INC (US) 2007-08-08 EP disclosed
EP-1351950-A2 ISOINDOLYL AND ISOQUINOLINYL AROYL PYRROLE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-10-15 EP disclosed
US-6492387-B2 ADMINISTERED AS AN ANTICONVULSANT AGENT, ANTIEPILEPTIC AGENT, NEUROPROTECTIVE AGENT, MUSCLE RELAXANT AGENT AND AGENT FOR THE TREATMENT OF NEUROPATHIC PAIN. ORTHO-MCNEIL PHARAMACEUTICAL, INC. 2002-12-10 US disclosed
US-20020128286-A1 Isoindolyl and isoquinolinyl aroyl pyrrole compounds ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-09-12 US disclosed
WO-2002057253-A2 ISOINDOLYL AND ISOQUINOLINYL AROYL PYRROLE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-07-25 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 (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-20020128286-A1 Isoindolyl and isoquinolinyl aroyl pyrrole compounds QPCT, INA, OPRK1 ALDH1A1 2152/4885KMT2A 3426/4885MAPT 368/4885

“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.