SCHEMBL19834587

SCHEMBL19834587

O=[N+]([O-])c1ccc(Oc2cccc(OCc3ccccc3)c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 5/20 0.50
NPSR1 Q6W5P4 2/20 0.50
RAB9A P51151 1/20 0.50
CTSV O60911 3/20 0.49
CTSL P07711 3/20 0.49
MAOB P27338 4/20 0.49
MAOA P21397 2/20 0.49
TLR4 O00206 1/20 0.48
TLR2 O60603 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
XBP1 P17861 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 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
SCHEMBL1547274 0.89 HSPB1 (0.63) HSPB1L3MBTL1GAAMAPTNPSR1
SCHEMBL13192707 0.83 MAOB (0.57) L3MBTL1MAPTNPSR1RAB9ACTSV
SCHEMBL221576 0.83 GABRA5 (0.57) HSPB1L3MBTL1GAAMAPTNPSR1
SCHEMBL29562227 0.83 GABRA5 (0.57) HSPB1L3MBTL1GAAMAPTNPSR1
SCHEMBL2651168 0.83 HSPB1 (0.72) HSPB1L3MBTL1GAAMAPTNPSR1
SCHEMBL20932453 0.82 HSPB1 (0.62) HSPB1L3MBTL1GAAMAPTNPSR1
SCHEMBL7802307 0.81 HSPB1 (0.53) HSPB1L3MBTL1GAAMAPTNPSR1
SCHEMBL8410546 0.81 HSPB1 (0.54) HSPB1L3MBTL1GAAMAPTNPSR1
SCHEMBL13639122 0.81 L3MBTL1 (0.50) HSPB1L3MBTL1GAAMAPTNPSR1
SCHEMBL11349108 0.81 HSPB1 (0.58) HSPB1L3MBTL1GAAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10252997-B2 Monocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-04-09 US disclosed
US-20180079723-A1 MONOCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-22 US disclosed
EP-3279183-A1 MONOCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-07 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 (2 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-10252997-B2 Monocyclic compound FABP1, CPT1A, GOT2 HSPB1 2183/4885L3MBTL1 2226/4885GAA 2237/4885
US-20180079723-A1 MONOCYCLIC COMPOUND FABP1, CPT1A, GOT2 HSPB1 2183/4885L3MBTL1 2226/4885GAA 2237/4885

“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.