SCHEMBL2829397

SCHEMBL2829397

C#CCn1c(C)c(C(=O)O)c2cccc(F)c2c1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
ATM Q13315 2/20 0.36
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
PADI4 Q9UM07 1/20 0.33
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL2831000 0.88 ALDH1A1 (0.37) MEN1KMT2AATMLMNAKDM4E
SCHEMBL2832433 0.82 LMNA (0.38) MEN1KMT2AATMGAALMNA
SCHEMBL2831862 0.82 CNR2 (0.46) MEN1KMT2AATMLMNAKDM4E
SCHEMBL14828565 0.82 PTGDR2 (0.42) MEN1KMT2AATMKDM4EMAPT
SCHEMBL2837392 0.82 MEN1 (0.42) MEN1KMT2AATMLMNAKDM4E
SCHEMBL2834005 0.81 KMT2A (0.38) MEN1KMT2ALMNAHPGD
SCHEMBL2833794 0.81 LMNA (0.41) MEN1KMT2AATMGAALMNA
SCHEMBL2834254 0.81 MEN1 (0.36) MEN1KMT2AATMLMNAKDM4E
SCHEMBL2832144 0.80 ADORA2B (0.41) MEN1KMT2AATMLMNAKDM4E
SCHEMBL2149105 0.80 NOTUM (0.41) CNR2

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 MEN1 2461/4885KMT2A 891/4885ATM 2996/4885

“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.