SCHEMBL3511705

SCHEMBL3511705

C=Cc1c(C(N)=O)cccc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.47
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
METAP2 P50579 1/20 0.43
GAA P10253 1/20 0.42
BCAT2 O15382 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
PDPK1 O15530 1/20 0.41
LMNA P02545 1/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
MAP4K4 O95819 1/20 0.39
CSF1R P07333 1/20 0.39

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
SCHEMBL6405798 0.88 PARP1 (0.43) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL5189068 0.86 ALDH1A1 (0.44) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL2975349 0.82 PARP1 (0.39) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL8580439 0.81 ALDH1A1 (0.50) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL27494534 0.79 ALDH1A1 (0.52) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL1004375 0.76 ALDH1A1 (0.50) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL14057966 0.75 KDM4E (0.41) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL5279852 0.75 PARP1 (0.43) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL10615477 0.75 PARP1 (0.43) PARP1KDM4EALDH1A1HPGDMAPT
Salicylamide SCHEMBL29082500 0.74 KDM4E (0.79) KDM4EALDH1A1HPGDMAPTTSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 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-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY BACE1, BACE2, APP PARP1 2314/4885KDM4E 2088/4885ALDH1A1 1223/4885

“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.