SCHEMBL14282014

SCHEMBL14282014

CC(C)c1ccc(-n2ccc(=O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.57
KMT2A Q03164 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.44
NOTUM Q6P988 2/20 0.43
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TYR P14679 2/20 0.41
ALDH1A1 P00352 2/20 0.40
ALKBH5 Q6P6C2 1/20 0.39
KDM4E B2RXH2 2/20 0.37
RECQL P46063 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
DHODH Q02127 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36
GPR35 Q9HC97 1/20 0.36

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
SCHEMBL4631433 0.80 ALDH1A1 (0.52) MGLLKMT2AL3MBTL1NOTUMMEN1
SCHEMBL92862 0.76 KMT2A (0.59) MGLLKMT2ANOTUMMEN1TDP1
SCHEMBL334441 0.73 KMT2A (0.41) MGLLKMT2AMEN1TDP1ALDH1A1
SCHEMBL3482327 0.72 MGLL (1.00) MGLLKMT2AL3MBTL1MEN1TDP1
SCHEMBL20649339 0.71 KMT2A (0.59) MGLLKMT2AMEN1TDP1TYR
SCHEMBL9594218 0.71 KMT2A (0.53) KMT2AL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL7319404 0.70 KMT2A (0.52) MGLLKMT2AMEN1ALDH1A1KDM4E
SCHEMBL4632449 0.70 MGLL (0.42) MGLLKMT2AL3MBTL1NOTUMMEN1
SCHEMBL10022377 0.70 NOTUM (0.55) MGLLKMT2AL3MBTL1NOTUMMEN1
SCHEMBL9595183 0.69 KMT2A (0.52) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009498-A1 Phosphodiesterase inhibitors and nitric oxide donors, compositions and methods of use NITROMED, INC. (US) 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-20080009498-A1 Phosphodiesterase inhibitors and nitric oxide donors, compositions and methods of use PDE3A, PDE3B, PDE2A MGLL 654/4885KMT2A 3848/4885L3MBTL1 4601/4885

“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.