SCHEMBL13564482

SCHEMBL13564482

Nc1ccc(Oc2cccc3c2CC[C@@H]3O)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 1/20 0.40
BRCA1 P38398 1/20 0.40
HBB P68871 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
POLL Q9UGP5 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B2 P19099 1/20 0.36
POLB P06746 2/20 0.35
RAB9A P51151 1/20 0.35
S1PR1 P21453 4/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 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
SCHEMBL13519010 0.81 KMT2A (0.45) KMT2AALOX5APFEN1POLLCYP11B2
SCHEMBL13519011 0.81 KMT2A (0.45) KMT2AALOX5APFEN1POLLCYP11B2
SCHEMBL3631094 0.81 KMT2A (0.51) KMT2AMEN1ALOX5APFEN1CYP11B2
SCHEMBL13564460 0.80 NCOA1 (0.43) KMT2AMEN1ALDH1A1POLLCYP19A1
SCHEMBL15485349 0.78 POLL (0.43) KMT2AMEN1POLLCYP19A1CYP11B2
SCHEMBL13518769 0.74 POLL (0.47) KMT2AMEN1POLLCYP19A1CYP11B2
SCHEMBL6178192 0.73 KEAP1 (0.57) KEAP1KMT2AMEN1KDM4EALDH1A1
SCHEMBL6178803 0.73 KEAP1 (0.57) KEAP1KMT2AMEN1KDM4EALDH1A1
SCHEMBL6181366 0.72 KCNQ3 (0.50) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL9933801 0.72 HTR1A (0.46) KMT2APOLLHCRTR1HCRTR2

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
WO-2012147518-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE 持田製薬株式会社 (JP) 2012-11-01 WO disclosed
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-11-01 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-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE GPR119, GPR27, GPR65 KEAP1 2528/4885KMT2A 3751/4885MEN1 3672/4885

“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.