SCHEMBL3947749

SCHEMBL3947749

Nc1ccc2[nH]c(CO)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.53
TDP1 Q9NUW8 3/20 0.51
MAPT P10636 11/20 0.50
KDM4E B2RXH2 4/20 0.50
PKM P14618 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
RPS6KA3 P51812 1/20 0.45
CSNK2A1 P68400 1/20 0.45
PLK3 Q9H4B4 1/20 0.45
EGFR P00533 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
Hydrochloric Acid SCHEMBL16931249 0.98 RAD52 (0.55) RAD52TDP1MAPTKDM4EPKM
SCHEMBL9597345 0.86 RAD52 (0.61) RAD52TDP1MAPTKDM4EPKM
SCHEMBL520978 0.86 RAD52 (0.69) RAD52TDP1MAPTKDM4EPKM
SCHEMBL23793903 0.85 MAPT (0.55) RAD52TDP1MAPTKDM4EPKM
SCHEMBL7029404 0.82 DDAH1 (0.58) RAD52TDP1MAPTKDM4EPKM
SCHEMBL10289499 0.82 MAPT (0.50) RAD52TDP1MAPTKDM4EPKM
Hydrochloric Acid SCHEMBL8478920 0.82 GRIN1 (0.47) RAD52TDP1MAPTKDM4EMEN1
SCHEMBL7348235 0.80 MAPT (0.53) RAD52TDP1MAPTKDM4EPKM
SCHEMBL10891268 0.80 RAD52 (0.48) RAD52TDP1MAPTKDM4EPKM
SCHEMBL9570064 0.79 MAPT (0.55) RAD52TDP1MAPTKDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 EP 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 RAD52 2837/4885TDP1 2689/4885MAPT 3261/4885

“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.