SCHEMBL6959055

SCHEMBL6959055

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
GFER P55789 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ABCB1 P08183 2/20 0.50
DRD3 P35462 2/20 0.50
DRD4 P21917 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DRD2 P14416 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 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
SCHEMBL2857290 0.91 ALDH1A1 (0.62) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL6953088 0.90 ABCG2 (0.52) KMT2AATMALDH1A1MAPTMEN1
SCHEMBL5200960 0.89 ALDH1A1 (0.49) KMT2AATMALDH1A1MAPTMEN1
SCHEMBL6953945 0.88 ALDH1A1 (0.49) KMT2AATMALDH1A1MAPTMEN1
SCHEMBL6951470 0.87 ALDH1A1 (0.48) KMT2AATMALDH1A1MAPTMEN1
SCHEMBL5200925 0.86 HTR1A (0.55) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL5200481 0.77 DRD2 (0.52) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL7650883 0.77 KMT2A (0.69) KMT2AATMALDH1A1MAPTMEN1
SCHEMBL3051805 0.73 DHCR7 (0.62) KMT2AALDH1A1MAPTMEN1LMNA
Bromide SCHEMBL8790411 0.72 ABCB1 (0.62) KMT2AATMALDH1A1MAPTMEN1

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 7 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-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
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 KMT2A 3426/4885ATM 2166/4885ALDH1A1 2152/4885

“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.