SCHEMBL532678

SCHEMBL532678

O=C(Nc1ccc(N2CCNCC2)cc1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.74
RAB9A P51151 7/20 0.74
NPC1 O15118 6/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
TP53 P04637 1/20 0.74
PKM P14618 1/20 0.74
NFKB1 P19838 1/20 0.74
NFKB2 Q00653 1/20 0.74
RELA Q04206 1/20 0.74
USP2 O75604 3/20 0.66
ALDH1A1 P00352 2/20 0.66
TSHR P16473 1/20 0.66
HSD17B10 Q99714 1/20 0.66
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MCL1 Q07820 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPKAPK2 P49137 1/20 0.56

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
SCHEMBL5084566 0.94 USP2 (0.66) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL24891825 0.92 RAB9A (0.64) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL24891707 0.90 NPC1 (0.64) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL1663115 0.88 ALDH1A1 (0.66) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL8769785 0.88 RAB9A (0.59) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL28090799 0.88 RAB9A (0.83) MAPTRAB9ANPC1SMN1; SMN2TP53
Trifluoroacetic Acid SCHEMBL29803762 0.86 RAB9A (0.56) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL17801122 0.86 NPC1 (0.75) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL1999202 0.86 MAPKAPK2 (0.65) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL4932310 0.85 MAPT (0.55) MAPTRAB9ANPC1SMN1; SMN2TP53

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-2415767-B1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP 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-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 MAPT 2713/4885RAB9A 3651/4885NPC1 3453/4885

“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.