SCHEMBL15399370

SCHEMBL15399370

O=[N+]([O-])c1ccc(OCCCc2ccccc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.56
CYP11B1 P15538 6/20 0.56
CYP11B2 P19099 6/20 0.56
PKM P14618 1/20 0.53
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GABRA5 P31644 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HSPB1 P04792 1/20 0.46
PPARG P37231 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
FAAH O00519 1/20 0.44

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
SCHEMBL29562227 0.84 GABRA5 (0.57) CYP19A1CYP11B1CYP11B2PKMPOLB
SCHEMBL221576 0.84 GABRA5 (0.57) CYP19A1CYP11B1CYP11B2PKMPOLB
SCHEMBL14659339 0.83 GABRA5 (0.49) CYP19A1CYP11B1CYP11B2PKMPOLB
SCHEMBL6787331 0.82 POLB (0.57) CYP19A1CYP11B1CYP11B2PKMPOLB
SCHEMBL4271251 0.79 HSPB1 (0.50) POLBSMN1; SMN2GABRA5L3MBTL1GAA
SCHEMBL3333575 0.79 MAPT (0.58) CYP19A1PKMGABRA5L3MBTL1GAA
SCHEMBL14549594 0.79 HSPB1 (0.50) POLBSMN1; SMN2GABRA5L3MBTL1GAA
SCHEMBL11708128 0.79 DRD2 (0.64) CYP19A1CYP11B1CYP11B2SMN1; SMN2SIGMAR1
SCHEMBL11280948 0.79 GAA (0.48) CYP19A1CYP11B1CYP11B2PKMGABRA5
SCHEMBL11175467 0.79 MAPT (0.54) CYP19A1CYP11B1CYP11B2SMN1; SMN2L3MBTL1

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-2687507-B1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2016-03-09 EP disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
EP-2687507-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2014-01-22 EP disclosed
US-20140005382-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-02 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-20140005382-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND LCAT, ACAT2, SOAT2 CYP19A1 316/4885CYP11B1 184/4885CYP11B2 119/4885

“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.