SCHEMBL2832042

SCHEMBL2832042

Cc1c(C(=O)O)c2ccccc2c(=O)n1NCC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
RAB9A P51151 2/20 0.38
ATM Q13315 3/20 0.35
NPY5R Q15761 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HTT P42858 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
BRD4 O60885 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
AURKA O14965 1/20 0.34
SYK P43405 1/20 0.34
AURKB Q96GD4 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 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
SCHEMBL2834068 0.88 MEN1 (0.36) KMT2AMEN1RAB9AATMHTT
SCHEMBL2830092 0.86 HTT (0.42) KMT2AMEN1RAB9AATMHTT
SCHEMBL2832854 0.81 LMNA (0.40) KMT2AMEN1RAB9AATMHTT
SCHEMBL2831244 0.80 KAT2A (0.42) KMT2AMEN1RAB9AATMHTT
SCHEMBL2834152 0.79 MEN1 (0.42) KMT2AMEN1ATMHTTL3MBTL1
SCHEMBL2834313 0.78 MEN1 (0.43) KMT2AMEN1RAB9AATMHTT
SCHEMBL2831257 0.78 GAA (0.38) KMT2AMEN1ATMHTTSMN1; SMN2
SCHEMBL2830653 0.78 MEN1 (0.38) KMT2AMEN1ATMHTTL3MBTL1
SCHEMBL2832448 0.77 RAB9A (0.49) KMT2AMEN1RAB9AATMNPY5R
SCHEMBL3352439 0.76 SMN1; SMN2 (0.41) KMT2AMEN1ATMHTTL3MBTL1

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 2461/4885RAB9A 1726/4885

“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.