SCHEMBL2830653

SCHEMBL2830653

Cc1c(C(=O)O)c2ccccc2c(=O)n1NC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ATM Q13315 3/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 4/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
MYC P01106 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE10A Q9Y233 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2834068 0.82 MEN1 (0.36) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL3352439 0.81 SMN1; SMN2 (0.41) MEN1KMT2AATMKDM4ELMNA
SCHEMBL2835055 0.79 KDM4E (0.40) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL2830092 0.79 HTT (0.42) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL2153750 0.78 TACR3 (0.48) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL2832042 0.78 KMT2A (0.40) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL2832854 0.77 LMNA (0.40) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL2831244 0.76 KAT2A (0.42) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL2834152 0.75 MEN1 (0.42) MEN1KMT2AATMALDH1A1LMNA
SCHEMBL14828534 0.75 SMN1; SMN2 (0.47) MEN1KMT2AATMALDH1A1KDM4E

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.