SCHEMBL2832378

SCHEMBL2832378

C=CCn1c(C)c(C(=O)O)c2ccccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
KDM4E B2RXH2 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 3/20 0.48
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 3/20 0.44
ATM Q13315 1/20 0.42
HTT P42858 2/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL2833794 0.82 LMNA (0.41) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL3350444 0.79 SMN1; SMN2 (0.58) MEN1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL2834290 0.79 MEN1 (0.49) MEN1KMT2AKDM4ENPC1MAPK1
SCHEMBL7950414 0.79 TACR3 (0.47) MEN1KMT2AKDM4ESMN1; SMN2MAPK1
SCHEMBL2837392 0.77 MEN1 (0.42) MEN1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL2830643 0.77 TDP1 (0.62) MEN1KMT2AKDM4ENPC1SMN1; SMN2
SCHEMBL2832448 0.77 RAB9A (0.49) MEN1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL2149061 0.76 MEN1 (0.41) MEN1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL2834167 0.76 ALDH1A1 (0.63) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL2832041 0.76 ALDH1A1 (0.52) MEN1KMT2AKDM4ERAB9ASMN1; SMN2

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 891/4885KDM4E 2545/4885

“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.