SCHEMBL3343479

SCHEMBL3343479

Brc1cc(Br)n2c1cnc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.41
HPGD P15428 4/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
NFKB1 P19838 2/20 0.41
GMNN O75496 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
LCK P06239 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3344499 0.68 SMN1; SMN2 (0.41) HSD17B10HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL29284761 0.67 HSD17B10 (0.38) HSD17B10HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL31612341 0.67 HSD17B10 (0.42) HSD17B10HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL29711837 0.67 ALDH1A1 (0.50) HSD17B10HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL4511748 0.67 ALDH1A1 (0.50) HSD17B10HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL5001588 0.66 KDM4E (0.54) HSD17B10HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL29284760 0.63 HSD17B10 (0.46) HSD17B10HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL3337856 0.63 KDM4E (0.46) HSD17B10HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL3344096 0.63 KDM4E (0.54) HSD17B10HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL29284766 0.62 KDM4E (0.44) HSD17B10HPGDMAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152180-A1 4-oxo-4,5-dihydropyrrolo[1,2-A)quinoxaline derivatives as inhibitors of poly(ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-06-17 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 (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-20100152180-A1 4-oxo-4,5-dihydropyrrolo[1,2-A)quinoxaline derivatives as inhibitors of poly(ADP-ribose) polymerase (PARP) PARP1, PARP2, PARP4 HSD17B10 3845/4885HPGD 764/4885MAPT 264/4885

“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.