SCHEMBL2830804

SCHEMBL2830804

Cc1c(C(=O)O)c2cccc(F)c2c(=O)n1NCCCF

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
KAT2B Q92831 2/20 0.35
NOTUM Q6P988 1/20 0.34
CNR1 P21554 2/20 0.32
GPR139 Q6DWJ6 1/20 0.31
CNR2 P34972 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL2835049 0.93 KMT2A (0.39) KMT2AMEN1KAT2BNOTUMGPR139
SCHEMBL2837365 0.88 KMT2A (0.39) KMT2AMEN1KAT2BGPR139
SCHEMBL2149283 0.86 KMT2A (0.40) KMT2AMEN1KAT2BGPR139
SCHEMBL2833404 0.84 MEN1 (0.33) KMT2AMEN1KAT2B
SCHEMBL2834005 0.83 KMT2A (0.38) KMT2AMEN1KAT2BGPR139
SCHEMBL2837239 0.83 KMT2A (0.38) KMT2AMEN1KAT2BGPR139PTGDR2
SCHEMBL2149496 0.83 GPR139 (0.40) KMT2AMEN1KAT2BGPR139POLB
SCHEMBL2835040 0.82 GPR139 (0.39) KMT2AMEN1KAT2BGPR139
SCHEMBL2149368 0.82 KMT2A (0.43) KMT2AMEN1KAT2BNOTUMGPR139
SCHEMBL7951059 0.80 PPARG (0.34) KMT2AMEN1CNR2

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
EP-2342182-B1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS LUNDBECK & CO AS H (DK) 2012-11-14 EP claimed
US-8242134-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-08-14 US claimed
US-20100076016-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-03-25 US claimed
EP-2342182-B1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS LUNDBECK & CO AS H (DK) 2012-11-14 EP disclosed
US-8242134-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-08-14 US disclosed
US-20100076016-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-03-25 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-20100076016-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, GRIK3 KMT2A 891/4885MEN1 2461/4885KAT2B 3039/4885

“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.