SCHEMBL3050895

SCHEMBL3050895

O=C(NC(=S)Nc1cccc(-c2ccccc2)c1)c1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
RAB9A P51151 7/20 0.70
NPC1 O15118 6/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
KMT2A Q03164 3/20 0.70
MEN1 O00255 2/20 0.70
MIF P14174 2/20 0.70
MAPT P10636 2/20 0.66
ALOX12 P18054 2/20 0.66
LMNA P02545 2/20 0.66
MAPK1 P28482 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
HTT P42858 1/20 0.62
HPGD P15428 1/20 0.61
PKM P14618 1/20 0.61
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
SMO Q99835 2/20 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
SCHEMBL11167105 0.90 RAB9A (0.80) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3050288 0.88 NPC1 (0.65) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3059591 0.88 ALDH1A1 (0.81) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3048213 0.87 ALDH1A1 (0.67) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3054866 0.87 ALDH1A1 (0.72) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3047410 0.87 ALDH1A1 (0.70) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL14859813 0.85 ALDH1A1 (0.67) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3059320 0.84 ALDH1A1 (0.66) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3057836 0.83 MAPT (0.74) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL14127097 0.82 EPHX1 (0.78) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A

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 855/4885NPC1 1071/4885

“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.