SCHEMBL3059348

SCHEMBL3059348

COc1cccc(NC(=S)NC(=O)c2cccc(Cl)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.77
NPC1 O15118 3/20 0.77
ALDH1A1 P00352 4/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
HPGD P15428 1/20 0.73
ALOX12 P18054 2/20 0.67
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.63
LMNA P02545 1/20 0.63
GAA P10253 1/20 0.63
MAPT P10636 1/20 0.63
MAPK1 P28482 1/20 0.63
CASP3 P42574 1/20 0.63
HTT P42858 1/20 0.63
KMT2A Q03164 1/20 0.63
SENP8 Q96LD8 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
SENP6 Q9GZR1 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63

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
SCHEMBL10144000 0.95 ALDH1A1 (0.71) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL3062637 0.89 SMN1; SMN2 (0.69) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL3039371 0.88 ALDH1A1 (0.63) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL24769827 0.87 RAB9A (0.74) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL4250684 0.87 NPC1 (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL3046207 0.87 SMN1; SMN2 (0.84) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL1337740 0.86 ALDH1A1 (0.67) RAB9ANPC1ALDH1A1SMN1; SMN2ALOX12
SCHEMBL1336791 0.86 KCNK3 (0.73) RAB9ANPC1ALDH1A1SMN1; SMN2ALOX12
SCHEMBL3056608 0.86 SMN1; SMN2 (0.65) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL3049631 0.84 SMN1; SMN2 (0.79) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD

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 RAB9A 855/4885NPC1 1071/4885ALDH1A1 2038/4885

“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.