SCHEMBL4520864

SCHEMBL4520864

O=C(NC1CC1)c1cnn2c1[nH]c(=O)c1ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.57
HPGD P15428 2/20 0.57
RAB9A P51151 1/20 0.57
HIF1A Q16665 1/20 0.57
HSD17B10 Q99714 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TSHR P16473 3/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
PKM P14618 2/20 0.50
ALOX15 P16050 2/20 0.50
FPR1 P21462 2/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SPR P35270 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL4229511 0.94 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDRAB9AHIF1A
SCHEMBL4047424 0.83 HPGD (0.65) ALDH1A1KDM4EHPGDRAB9AHIF1A
SCHEMBL4052993 0.81 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDRAB9AHIF1A
SCHEMBL4049628 0.80 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDRAB9AHIF1A
SCHEMBL4224716 0.80 HPGD (0.67) ALDH1A1KDM4EHPGDRAB9AHIF1A
SCHEMBL4226019 0.80 PLAT (0.56) ALDH1A1KDM4EHPGDRAB9AHIF1A
SCHEMBL4054217 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDRAB9AHIF1A
SCHEMBL4056068 0.79 HPGD (0.66) ALDH1A1KDM4EHPGDRAB9AHIF1A
SCHEMBL4052148 0.79 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDRAB9AHIF1A
SCHEMBL4051927 0.78 KDM4E (0.76) ALDH1A1KDM4EHPGDRAB9AHIF1A

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
US-20090298858-A1 POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2009-12-03 US claimed
US-20080015182-A1 Potent PARP Inhibitors ABBOTT LABORATORIES 2008-01-17 US claimed
EP-2069351-B1 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS ABBVIE INC (US) 2015-10-28 EP disclosed
US-8183250-B2 Potent PARP inhibitors ABBOTT LABORATORIES (US) 2012-05-22 US disclosed
US-20090306014-A1 C-10 CARBAMATES OF TAXANES ACIDOPHIL LLC (US) 2009-12-10 US disclosed
US-20090298858-A1 POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2009-12-03 US disclosed
US-20080015182-A1 Potent PARP Inhibitors ABBOTT LABORATORIES 2008-01-17 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 (3 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-20090298858-A1 POTENT PARP INHIBITORS PARP1, PARP2, PARP3 ALDH1A1 282/4885KDM4E 515/4885HPGD 392/4885
US-20080015182-A1 Potent PARP Inhibitors PARP1, PARP2, PARP3 ALDH1A1 282/4885KDM4E 515/4885HPGD 392/4885
US-20090306014-A1 C-10 CARBAMATES OF TAXANES CASP10, S100A10, ATXN10 ALDH1A1 1408/4885KDM4E 616/4885HPGD 4700/4885

“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.