SCHEMBL4236328

SCHEMBL4236328

Nc1cc(O)c(Oc2ccc([N+](=O)[O-])cc2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.56
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 2/20 0.48
PDE7A Q13946 1/20 0.47
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MYOC Q99972 1/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4236273 0.82 HSPB1 (0.51) HSPB1KMT2AALDH1A1MEN1MAPT
SCHEMBL4229566 0.82 HSPB1 (0.55) HSPB1KMT2AALDH1A1MEN1MAPT
SCHEMBL30371792 0.81 HSPB1 (0.53) HSPB1KMT2AALDH1A1MEN1HTT
SCHEMBL4233404 0.79 HSPB1 (0.64) HSPB1KMT2AALDH1A1MEN1MAPT
SCHEMBL4229163 0.79 MAPT (0.53) HSPB1KMT2AALDH1A1MEN1MAPT
SCHEMBL4684500 0.78 HSPB1 (0.50) HSPB1KMT2AALDH1A1MEN1MAPT
SCHEMBL4684505 0.78 HSPB1 (0.50) HSPB1KMT2AALDH1A1MEN1MAPT
SCHEMBL12595070 0.76 ALDH1A1 (0.62) HSPB1KMT2AALDH1A1MEN1MAPT
SCHEMBL2195095 0.75 HSPB1 (0.60) HSPB1KMT2AALDH1A1MEN1MAPT
SCHEMBL4234283 0.75 HSPB1 (0.73) HSPB1KMT2AALDH1A1MEN1MAPT

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-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R HSPB1 3146/4885KMT2A 3436/4885ALDH1A1 4542/4885

“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.