SCHEMBL5515083

SCHEMBL5515083

O=C[N]c1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD17B3 P37058 1/20 0.37
PARP1 P09874 1/20 0.36
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
HSD11B1 P28845 1/20 0.35
KDM1A O60341 1/20 0.34
MGLL Q99685 1/20 0.34
TGM2 P21980 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL942197 0.75
SCHEMBL59005 0.74 MAPK1 (0.45) ALDH1A1MAPK1MEN1KMT2ATDP1
SCHEMBL5524547 0.74 HTR3E (0.48) ALDH1A1MAPK1MEN1KMT2ATDP1
SCHEMBL5527357 0.74 HTR3E (0.48) ALDH1A1MEN1KMT2ANPSR1TSHR
SCHEMBL7172274 0.74 ALDH1A1 (0.46) ALDH1A1MAPK1MEN1KMT2ATDP1
SCHEMBL1971584 0.74 ALDH1A1 (0.46) ALDH1A1MAPK1MEN1KMT2ATDP1
SCHEMBL7172271 0.74 ALDH1A1 (0.46) ALDH1A1MAPK1MEN1KMT2ATDP1
SCHEMBL30102043 0.74 ALDH1A1 (0.46) ALDH1A1MAPK1MEN1KMT2ATDP1
SCHEMBL5526470 0.72 CYP2A6 (0.42) ALDH1A1MAPK1MEN1KMT2ATSHR
SCHEMBL2086877 0.71

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-7241770-B2 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH (DE) 2007-07-10 US disclosed
US-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH. 2005-06-16 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-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors OPRL1, ORMDL3, OGFRL1 ALDH1A1 498/4885MAPK1 1454/4885MEN1 3895/4885

“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.