SCHEMBL3568690

SCHEMBL3568690

COCC1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SIRT6 Q8N6T7 2/20 0.55
HRH3 Q9Y5N1 1/20 0.54
ALDH1A1 P00352 3/20 0.51
POLB P06746 2/20 0.51
ADRB1 P08588 1/20 0.51
LMNA P02545 2/20 0.51
SIGMAR1 Q99720 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL30879130 0.87 MEN1 (0.58) MAPTMEN1KMT2ASIRT6HRH3
SCHEMBL25169935 0.84 MAPT (0.62) MAPTMEN1KMT2ASIRT6HRH3
SCHEMBL13114892 0.81 MAPT (0.67) MAPTMEN1KMT2ASIRT6HRH3
SCHEMBL25189631 0.81 MEN1 (0.60) MAPTMEN1KMT2ASIRT6HRH3
SCHEMBL16569991 0.81 MAPT (0.66) MAPTMEN1KMT2ASIRT6ALDH1A1
SCHEMBL27832 0.81 SIRT6 (0.59) MAPTMEN1KMT2ASIRT6HRH3
SCHEMBL29045758 0.80 MEN1 (0.55) MAPTMEN1KMT2ASIRT6HRH3
SCHEMBL30981311 0.80 MAPT (0.58) MAPTMEN1KMT2ASIRT6HRH3
SCHEMBL28741 0.80 MAPT (0.55) MAPTMEN1KMT2ASIRT6HRH3
SCHEMBL1911913 0.79 ALDH1A1 (0.68) MAPTKMT2ASIRT6ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
CN-101356159-A Substituted isoquinoline-1, 3(2H,4H) -diones, 1-thio-1, 4-dihydro-2H-isoquinoline-3-ones and 1, 4-dihydro-3 (2H) -isoquinolones and their use as kinase inhibitors WYETH CORP (US) 2009-01-28 CN disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 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-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 MAPT 4095/4885MEN1 1015/4885KMT2A 1053/4885

“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.