SCHEMBL22686997

SCHEMBL22686997

O=[N+]([O-])c1cc(Oc2ccc(F)cc2)cc(-n2cccn2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.52
LMNA P02545 7/20 0.45
HTT P42858 3/20 0.45
ALDH1A1 P00352 7/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 3/20 0.39
ERO1A Q96HE7 1/20 0.37
POLB P06746 3/20 0.37
MITF O75030 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5962918 0.78 NOTUM (0.55) HTTALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL15911431 0.76 HSPB1 (0.71) HSPB1LMNAHTTALDH1A1MEN1
SCHEMBL31413300 0.74 ALDH1A1 (0.41) LMNAHTTALDH1A1MEN1KMT2A
SCHEMBL23702646 0.74 ALDH1A1 (0.41) LMNAHTTALDH1A1MEN1KMT2A
SCHEMBL30104052 0.74 ALDH1A1 (0.41) LMNAHTTALDH1A1MEN1KMT2A
SCHEMBL23712697 0.74 TSHR (0.50) LMNAHTTALDH1A1MEN1KMT2A
SCHEMBL23702657 0.74 ALDH1A1 (0.41) LMNAHTTALDH1A1MEN1KMT2A
SCHEMBL2643542 0.74 KEAP1 (0.52) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL15911443 0.73 HSPB1 (0.65) HSPB1LMNAHTTALDH1A1MEN1
SCHEMBL22686984 0.73 HSPB1 (0.65) HSPB1LMNAHTTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200369626-A1 COMPOSITIONS OF SPHINGOSINE-1-PHOSPHATE RECEPTOR 2 (S1PR2) BINDING AGENTS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2020-11-26 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-20200369626-A1 COMPOSITIONS OF SPHINGOSINE-1-PHOSPHATE RECEPTOR 2 (S1PR2) BINDING AGENTS AND USES THEREOF S1PR2, S1PR1, S1PR3 HSPB1 3013/4885LMNA 1789/4885HTT 2910/4885

“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.