SCHEMBL2569248

SCHEMBL2569248

Cc1cc(C(N)=NO)ccc1I

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
GFER P55789 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RECQL P46063 1/20 0.46
GAA P10253 3/20 0.39
RAB9A P51151 2/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
KDM1A O60341 9/20 0.38
HTR7 P34969 1/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL2569245 1.00 LMNA (0.47) LMNAKMT2AGFERL3MBTL1RECQL
SCHEMBL7971868 0.82 LMNA (0.66) LMNAKMT2AGFERL3MBTL1RECQL
SCHEMBL16367706 0.82 LMNA (0.66) LMNAKMT2AGFERL3MBTL1RECQL
SCHEMBL17737724 0.82 LMNA (0.66) LMNAKMT2AGFERL3MBTL1RECQL
SCHEMBL19798095 0.78 LMNA (0.49) LMNAKMT2AGFERL3MBTL1RECQL
SCHEMBL29875584 0.77 TSHR (0.53) LMNAKMT2AGFERL3MBTL1RECQL
SCHEMBL7399083 0.77 L3MBTL1 (0.47) LMNAKMT2AGFERL3MBTL1RECQL
SCHEMBL16088883 0.77 TSHR (0.53) LMNAKMT2AGFERL3MBTL1RECQL
SCHEMBL444401 0.76 PARP1 (0.53) PRSS1PRSS2PRSS3HSD17B10
SCHEMBL31748721 0.74 RECQL (0.61) LMNAKMT2AGFERL3MBTL1RECQL

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
US-8354398-B2 Substituted isoxazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-15 US disclosed
US-20110300165-A1 SUBSTITUTED ISOXAZOLE COMPOUNDS The Board of TRustees of the University of Illinoi University of Illinios (US) 2011-12-08 US disclosed
EP-2382212-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES Bristol-Myers Squibb Company (US) 2011-11-02 EP disclosed
WO-2010085581-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 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-20110300165-A1 SUBSTITUTED ISOXAZOLE COMPOUNDS S1PR4, S1PR3, S1PR1 LMNA 3594/4885KMT2A 4416/4885GFER 1516/4885

“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.