SCHEMBL3897812

SCHEMBL3897812

CC(=O)c1nc(C)n2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
HAT1 O14929 2/20 0.46
EP300 Q09472 2/20 0.46
BAZ2B Q9UIF8 6/20 0.43
BAZ2A Q9UIF9 6/20 0.43
BRD4 O60885 2/20 0.43
NOTUM Q6P988 1/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
SSTR4 P31391 1/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL25374632 0.86 HAT1 (0.49) KMT2AHAT1EP300SSTR4MAPK1
SCHEMBL25375090 0.85 KMT2A (0.47) KMT2AHAT1EP300BAZ2BBAZ2A
SCHEMBL25378222 0.83 HAT1 (0.45) KMT2AHAT1EP300NOTUMSSTR4
SCHEMBL26054724 0.83 HAT1 (0.45) KMT2AHAT1EP300BAZ2BBAZ2A
SCHEMBL20674150 0.83 BAZ2B (0.46) KMT2ABAZ2BBAZ2ABRD4NOTUM
SCHEMBL15596018 0.81 KMT2A (0.44) KMT2ABAZ2BBAZ2ABRD4NOTUM
SCHEMBL23587117 0.81 CYP1A2 (0.42) KMT2ABAZ2BBAZ2ABRD4BRD2
SCHEMBL8313988 0.80 HAT1 (0.40) KMT2AHAT1EP300NOTUMSSTR4
Acetic Acid SCHEMBL27927368 0.79 MAPK1 (0.43) KMT2ABAZ2BBAZ2ABRD4NOTUM
SCHEMBL18031535 0.79 ALDH1A1 (0.48) KMT2ABAZ2BBAZ2AMAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501438-B2 Pyridoimidazole derivatives FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-03-10 US claimed
WO-2008005908-A2 PYRIDOIMIDAZOLE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 WO claimed
US-20080009491-A1 1-(3-naphthalen-1-yl-imidazo[1,5-a]pyridin-1-yl)-butan-1-one; chronic pain, an inflammatory disorder, rheumatoid arthritis, multiple sclerosis, osteoporosis and osteoarthritis; cannabinoid receptor ligands FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 US claimed
US-7501438-B2 Pyridoimidazole derivatives FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-03-10 US disclosed
WO-2008005908-A2 PYRIDOIMIDAZOLE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 WO disclosed
US-20080009491-A1 1-(3-naphthalen-1-yl-imidazo[1,5-a]pyridin-1-yl)-butan-1-one; chronic pain, an inflammatory disorder, rheumatoid arthritis, multiple sclerosis, osteoporosis and osteoarthritis; cannabinoid receptor ligands FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 US 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-20080009491-A1 1-(3-naphthalen-1-yl-imidazo[1,5-a]pyridin-1-yl)-butan-1-one; chronic pain, an inflammatory disorder, rheumatoid arthritis, multiple sclerosis, osteoporosis and osteoarthritis; cannabinoid receptor ligands CNR1, CNR2, OPRK1 KMT2A 3100/4885HAT1 3023/4885EP300 1647/4885

“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.