SCHEMBL3044656

SCHEMBL3044656

O=C(NC(=S)Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
RAB9A P51151 6/20 0.70
NPC1 O15118 5/20 0.70
KMT2A Q03164 3/20 0.70
MEN1 O00255 2/20 0.70
SMN1; SMN2 Q16637 3/20 0.69
NPSR1 Q6W5P4 2/20 0.69
TDP1 Q9NUW8 2/20 0.69
PKM P14618 1/20 0.69
CRHBP P24387 1/20 0.69
CRHR2 Q13324 1/20 0.69
MIF P14174 2/20 0.67
EPHX1 P07099 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
THRB P10828 1/20 0.60
GPR55 Q9Y2T6 2/20 0.58
SIRT2 Q8IXJ6 2/20 0.57
SIRT1 Q96EB6 2/20 0.57
SMO Q99835 1/20 0.57
LMNA P02545 1/20 0.56

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
SCHEMBL13956726 0.86 ALDH1A1 (0.76) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL12190100 0.86 MEN1 (0.71) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL5445610 0.86 MAPT (0.71) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL3050273 0.84 ALDH1A1 (0.68) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL14095975 0.84 SIRT2 (0.60) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL14095964 0.84 EPHX1 (0.63) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL14095963 0.84 ALDH1A1 (0.62) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL12767876 0.84 ALDH1A1 (0.71) ALDH1A1RAB9ANPC1KMT2AMEN1
Hydrochloric Acid SCHEMBL3717975 0.83 BCAT2 (0.72) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL3062644 0.83 RAB9A (0.82) ALDH1A1RAB9ANPC1KMT2AMEN1

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.