SCHEMBL31470001

SCHEMBL31470001

O=[N+]([O-])c1cccc(Br)c1Oc1ccccc1F

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.61
MAPT P10636 4/20 0.47
PIN1 Q13526 1/20 0.47
NPC1 O15118 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL31470009 0.88 HSPB1 (0.68) HSPB1MAPTPIN1NPC1RECQL
SCHEMBL1338743 0.80 HSPB1 (0.60) HSPB1MAPTPIN1NPC1RECQL
SCHEMBL1340459 0.79 HSPB1 (0.71) HSPB1MAPTPIN1NPC1RECQL
SCHEMBL22470370 0.79 HSPB1 (0.57) HSPB1MAPTPIN1NPC1RECQL
SCHEMBL22325872 0.78 MAPT (0.44) HSPB1MAPTPIN1NPC1RECQL
SCHEMBL22325849 0.77 HSPB1 (0.42) HSPB1MAPTPIN1NPC1RECQL
SCHEMBL31470065 0.77 HPGD (0.65) HSPB1MAPTPIN1NPC1RECQL
SCHEMBL21617079 0.75 HSPB1 (0.55) HSPB1MAPTPIN1RAB9AMEN1
SCHEMBL17048139 0.75 NPC1 (0.46) HSPB1MAPTNPC1RECQLRAB9A
SCHEMBL1339022 0.73 L3MBTL1 (0.65) HSPB1MAPTPIN1NPC1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250170141-A1 MRGPRX2 MODULATORS AND RELATED METHODS OF TREATMENT INCYTE CORPORATION 2025-05-29 US disclosed
WO-2025076455-A1 MRGPRX2 MODULATORS AND RELATED METHODS OF TREATMENT Escient Pharmaceuticals Inc. (US) 2025-04-10 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-20250170141-A1 MRGPRX2 MODULATORS AND RELATED METHODS OF TREATMENT MRGPRX2, MRGPRX1, MRGPRX4 HSPB1 2415/4885MAPT 435/4885PIN1 2952/4885

“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.