SCHEMBL3337044

SCHEMBL3337044

O=C(NCCCn1ccnc1)c1ccc2c(c1)[nH]c(=O)c1c(Cl)cc(Cl)n12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.51
NAMPT P43490 1/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
RAD52 P43351 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
POLB P06746 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP19A1 P11511 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL13780777 0.74 NAMPT (0.59) MEN1KMT2ASMN1; SMN2NPC1NAMPT
SCHEMBL3344069 0.74 PARP1 (0.42)
SCHEMBL21098369 0.74 SMN1; SMN2 (0.89) MEN1KMT2ASMN1; SMN2NPC1KDM4E
SCHEMBL10850398 0.74 MEN1 (0.71) MEN1KMT2ASMN1; SMN2NPC1NAMPT
SCHEMBL6571604 0.73 SMN1; SMN2 (0.84) MEN1KMT2ASMN1; SMN2NPC1NAMPT
Trifluoroacetic Acid SCHEMBL3339735 0.72 PARP1 (0.48) SMN1; SMN2KDM4EGAARAD52ALDH1A1
SCHEMBL10853932 0.71 MEN1 (1.00) MEN1KMT2ASMN1; SMN2NPC1NAMPT
SCHEMBL6015763 0.71 MEN1 (0.61) MEN1KMT2ASMN1; SMN2NPC1NAMPT
SCHEMBL3338476 0.70 PARP1 (0.47) MEN1KMT2ASMN1; SMN2KDM4EGAA
SCHEMBL10822114 0.70 NAMPT (0.71) MEN1KMT2ASMN1; SMN2NPC1NAMPT

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 MEN1 3506/4885KMT2A 2729/4885SMN1; SMN2 2202/4885

“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.