SCHEMBL2114975

SCHEMBL2114975

O=C(Nc1ccccc1)C1CN(C(=O)OCc2ccccc2)C2=CCNC21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 5/20 0.42
ENPP2 Q13822 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 4/20 0.39
HTR2C P28335 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM1A O60341 2/20 0.39
RCOR1 Q9UKL0 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 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
SCHEMBL2114199 0.74 KDM4E (0.40) KDM4ELMNAHSD17B10SMN1; SMN2GAA
SCHEMBL2622143 0.74 HSD17B10 (0.48) POLBKDM4ELMNARAB9AENPP2
SCHEMBL2114973 0.74 HSD17B10 (0.48) POLBKDM4ELMNARAB9AENPP2
SCHEMBL1934002 0.71 NPC1 (0.49) RAB9ANPSR1NPC1HTR2CL3MBTL1
SCHEMBL8513424 0.71 FFAR4 (0.38) RAB9ANPC1HTR2CL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL4039829 0.70 NPC1 (0.49) RAB9ANPSR1NPC1HTR2CL3MBTL1
SCHEMBL11750711 0.67 ENPP2 (0.78) LMNARAB9AENPP2NPC1SMN1; SMN2
SCHEMBL3443750 0.66 PARP1 (0.62) POLBKDM4ELMNARAB9AENPP2
SCHEMBL13106468 0.66 PARP1 (0.62) POLBKDM4ELMNARAB9AENPP2
SCHEMBL3443753 0.66 PARP1 (0.62) POLBKDM4ELMNARAB9AENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2434889-B1 IAP INHIBITORS TETRALOGIC BIRINAPANT UK LTD (GB) 2016-03-09 EP disclosed
US-20130274278-A1 IAP INHIBITORS TETRALOGIC PHARM CORP (US) 2013-10-17 US disclosed
US-8481495-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-09 US disclosed
US-20120094917-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP (US) 2012-04-19 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 (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-20130274278-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 POLB 3851/4885KDM4E 2828/4885LMNA 767/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 POLB 3851/4885KDM4E 2828/4885LMNA 767/4885

“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.