SCHEMBL3242823

SCHEMBL3242823

O=C1c2ccccc2C(=O)N1CCc1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
GAA P10253 2/20 0.57
RAB9A P51151 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NPC1 O15118 1/20 0.57
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
DAO P14920 1/20 0.51
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
CASP3 P42574 1/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 1/20 0.49
CA12 O43570 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL14479196 0.84 GAA (0.46) MAPTGAARAB9AMEN1KMT2A
SCHEMBL1337353 0.83 CA12 (0.57) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL6921478 0.81 DAO (0.47) MAPTGAARAB9AMEN1KMT2A
SCHEMBL719505 0.81 GSK3A (0.53) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL121145 0.81 LMNA (0.63) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL29421589 0.81 LMNA (0.63) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL7244105 0.81 MAPT (0.55) MAPTGAARAB9AMEN1KMT2A
SCHEMBL9519219 0.76 MAPK1 (0.48) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL29018590 0.76 GAA (0.56) MAPTGAARAB9AMEN1KMT2A
SCHEMBL10488389 0.76 RAB9A (0.53) MAPTGAARAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1589029-B1 Pyrazinone protease inhibitors ORTHO MCNEIL PHARM INC (US) 2010-03-17 EP disclosed
EP-1086122-B1 PYRAZINONE PROTEASE INHIBITORS JOHNSON & JOHNSON PHARM RES (US) 2005-08-24 EP disclosed
US-6515129-B1 A pharmaceutical composition which comprises, a cyclic imide derivative represented by the general formula (I): present invention relates to an aminopeptidase N inhibitor or an angiogenesis inhibitor, modulates production of tumor necrosis ISHIHARA SANGYO KAISHA LTD. (JP) 2003-02-04 US disclosed
US-6514978-B2 Compounds such as 1-(n-(2-(amidinoaminooxy)ethyl)amino) carbonylmethyl-6-methyl-3-(phenethylamino)-pyrazinone attached to a polymer coated onto a medical device for blood collection or storage; antiagglomerants 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-04 US disclosed
US-6429212-B1 AMINOPEPTIDASE N INHIBITOR USED TO TREAT CANCER, TUMORS, AND RETINOPATHY; FEW SIDE EFFECTS; ANGIOGENESIS INHIBITOR ISHIHARA SANGYO KAISHA LTD. (JP) 2002-08-06 US disclosed
US-20010021713-A1 Thromboresistant materials incorporating pyrazinone protease inhibitors LU TIANBAO (US) 2001-09-13 US disclosed
US-6204263-B1 THROMBIN INHIBITORS. 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-03-20 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-20010021713-A1 Thromboresistant materials incorporating pyrazinone protease inhibitors HPN, SERPINE1, SERPINC1 MAPT 3709/4885GAA 2529/4885RAB9A 2739/4885

“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.