SCHEMBL3938947

SCHEMBL3938947

Nc1cccc2nc(CO)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 2/20 0.36
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
HPGD P15428 3/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 3/20 0.34
NPC1 O15118 2/20 0.34
GLA P06280 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
DDAH1 O94760 1/20 0.33
LMNA P02545 1/20 0.33
PTBP1 P26599 1/20 0.33
RCE1 Q9Y256 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
SCHEMBL5736942 0.84 RET (0.37) TDP1NPSR1RETKDRHPGD
SCHEMBL28791191 0.80 TDP1 (0.41) TDP1NPSR1MAPTALDH1A1KDM4E
SCHEMBL9533110 0.80 TDP1 (0.41) TDP1NPSR1HPGDMAPTALDH1A1
SCHEMBL31345698 0.79 TDP1 (0.47) TDP1NPSR1MAPTKDM4ENPC1
SCHEMBL31345731 0.79 POLB (0.40) TDP1NPSR1ALDH1A1NPC1RAB9A
SCHEMBL25369555 0.79 TDP1 (0.47) TDP1NPSR1MAPTKDM4ENPC1
SCHEMBL22333123 0.79 TDP1 (0.40) TDP1NPSR1MAPTALDH1A1NPC1
SCHEMBL5204337 0.79 TDP1 (0.40) TDP1NPSR1HPGDALDH1A1GAA
SCHEMBL4633992 0.78 RET (0.34) NPSR1RETKDRHPGDMAPT
SCHEMBL28972567 0.76 PI4KA (0.50) TDP1MAPTKDM4EPOLBKMT2A

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 TDP1 2689/4885NPSR1 69/4885RET 568/4885

“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.