SCHEMBL3635549

SCHEMBL3635549

COC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cn2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
ALDH1A1 P00352 4/20 0.55
LMNA P02545 3/20 0.55
RGS12 O14924 2/20 0.55
APOBEC3A P31941 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
HSPB1 P04792 1/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
ELANE P08246 1/20 0.47
AHR P35869 1/20 0.47
RAB9A P51151 1/20 0.47
FFAR1 O14842 1/20 0.46

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
SCHEMBL6176727 0.88 ALDH1A1 (0.60) MAPTALDH1A1LMNARGS12APOBEC3A
SCHEMBL4743662 0.86 HSPB1 (0.51) MAPTALDH1A1LMNARGS12APOBEC3A
SCHEMBL1589998 0.85 HSPB1 (0.63) MAPTALDH1A1LMNAL3MBTL1HSPB1
SCHEMBL31504019 0.82 KDM4E (0.72) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL31176892 0.81 L3MBTL1 (0.51) MAPTALDH1A1LMNAL3MBTL1MEN1
SCHEMBL7993232 0.81 MEN1 (0.63) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL20932453 0.81 HSPB1 (0.62) MAPTALDH1A1LMNAL3MBTL1HSPB1
SCHEMBL3507466 0.81 MAPT (0.53) MAPTALDH1A1LMNAL3MBTL1MEN1
SCHEMBL3999965 0.81 L3MBTL1 (0.50) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL620676 0.80 LMNA (0.56) MAPTALDH1A1LMNAL3MBTL1HSPB1

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
EP-2162445-B1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-11-27 EP disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
EP-2162445-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-03-17 EP disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
WO-2008150015-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-11 WO 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-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX MAPT 4806/4885ALDH1A1 2812/4885LMNA 3695/4885

“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.