SCHEMBL3517343

SCHEMBL3517343

Cc1n[nH]c(=O)n1-c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
CYP2C9 P11712 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
GAA P10253 1/20 0.41
SLC11A2 P49281 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CHEK1 O14757 1/20 0.37

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
SCHEMBL17047668 0.69 HSD17B10 (0.54) TDP1L3MBTL1POLBNPC1RAB9A
SCHEMBL3517549 0.69 TDP1 (0.45) TDP1CYP2C9L3MBTL1POLBNPC1
SCHEMBL29261700 0.69 KDM4E (0.42) TDP1POLBNPC1RAB9AALDH1A1
SCHEMBL409136 0.67 TDP1 (0.38) TDP1L3MBTL1POLBRAB9AALDH1A1
SCHEMBL8307380 0.66 TDP1 (0.40) TDP1L3MBTL1POLBNPC1RAB9A
SCHEMBL14100096 0.66 TDP1 (0.71) TDP1CYP2C9L3MBTL1POLBNPC1
SCHEMBL28145280 0.66 ALDH1A1 (0.39) TDP1L3MBTL1POLBNPC1RAB9A
SCHEMBL8600943 0.66 TDP1 (0.71) TDP1CYP2C9L3MBTL1POLBNPC1
SCHEMBL1133466 0.66 TDP1 (0.66) TDP1CYP2C9L3MBTL1POLBNPC1
SCHEMBL15547050 0.65 TDP1 (0.55) TDP1CYP2C9L3MBTL1POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
EP-2241567-A1 BICYCLOAMINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-10-20 EP disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
WO-2009101917-A1 BICYCLOAMINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-08-20 WO 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 (2 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-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 TDP1 1278/4885CYP2C9 357/4885L3MBTL1 3174/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 TDP1 1278/4885CYP2C9 357/4885L3MBTL1 3174/4885

“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.