SCHEMBL3059591

SCHEMBL3059591

O=C(NC(=S)Nc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.81
RAB9A P51151 5/20 0.81
KMT2A Q03164 4/20 0.81
NPC1 O15118 4/20 0.81
MEN1 O00255 3/20 0.81
SMN1; SMN2 Q16637 4/20 0.79
NPSR1 Q6W5P4 2/20 0.79
PKM P14618 1/20 0.79
CRHBP P24387 1/20 0.79
CRHR2 Q13324 1/20 0.79
TDP1 Q9NUW8 1/20 0.79
MIF P14174 2/20 0.77
GPR55 Q9Y2T6 4/20 0.70
THRB P10828 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
EPHX1 P07099 3/20 0.65
MAPT P10636 1/20 0.63
HTT P42858 1/20 0.63
PTPN1 P18031 1/20 0.62
GAA P10253 1/20 0.61

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
SCHEMBL14127097 0.91 EPHX1 (0.78) ALDH1A1RAB9AKMT2ANPC1MEN1
SCHEMBL3050895 0.88 ALDH1A1 (0.70) ALDH1A1RAB9AKMT2ANPC1MEN1
SCHEMBL28024180 0.87 MIF (1.00) ALDH1A1RAB9AKMT2ANPC1MEN1
SCHEMBL3039438 0.86 ALDH1A1 (0.76) ALDH1A1RAB9AKMT2ANPC1MEN1
SCHEMBL3059579 0.86 EPHX1 (0.83) ALDH1A1RAB9AKMT2ANPC1MEN1
SCHEMBL3055480 0.86 ALDH1A1 (0.81) ALDH1A1RAB9AKMT2ANPC1MEN1
SCHEMBL3056870 0.85 KMT2A (0.66) ALDH1A1RAB9AKMT2ANPC1MEN1
SCHEMBL5458088 0.82 KMT2A (0.70) ALDH1A1RAB9AKMT2ANPC1MEN1
SCHEMBL3051061 0.82 ALDH1A1 (0.74) ALDH1A1RAB9AKMT2ANPC1MEN1
SCHEMBL3057932 0.81 MAPT (0.73) ALDH1A1RAB9AKMT2ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200977-B1 F1F0-ATPASE INHIBITORS AND RELATED METHODS UNIV MICHIGAN (US) 2016-11-09 EP disclosed
US-8324258-B2 F1F0-ATPase inhibitors and related methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-12-04 US disclosed
US-20100222400-A1 F1F0-ATPase Inhibitors and Related Methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-09-02 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-20100222400-A1 F1F0-ATPase Inhibitors and Related Methods ATP5F1A, ATP5F1B, ATP5F1D ALDH1A1 2038/4885RAB9A 855/4885KMT2A 4015/4885

“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.