SCHEMBL4057795

SCHEMBL4057795

O=[N+]([O-])c1ccc(CCc2nc3cc(-c4ccccc4)ccc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.51
NPBWR1 P48145 3/20 0.49
MAPT P10636 9/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
KCNJ1 P48048 1/20 0.49
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
PKM P14618 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL2241134 0.82 RAB9A (0.55) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL2241269 0.77 RAB9A (0.51) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL6763997 0.75 RIPK1 (0.81) RIPK1NPBWR1MAPTALDH1A1LMNA
SCHEMBL9642123 0.74 MAPT (0.78) RIPK1MAPTALDH1A1LMNAKCNJ1
SCHEMBL17487306 0.74 HDAC6 (0.53) RIPK1NPBWR1MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL27146203 0.73 RAD52 (0.49) MAPTALDH1A1LMNARAB9ANPC1
Hydrochloric Acid SCHEMBL30033770 0.73 RAD52 (0.49) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL7033532 0.73 MAPT (0.72) RIPK1MAPTALDH1A1LMNAKCNJ1
SCHEMBL19884911 0.73 GAA (0.66) RIPK1MAPTLMNARAB9ANPC1
SCHEMBL20982681 0.73 NPC1 (0.73) NPBWR1MAPTALDH1A1LMNARAB9A

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
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B RIPK1 1055/4885NPBWR1 1615/4885MAPT 4026/4885

“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.