SCHEMBL3059366

SCHEMBL3059366

O=C(NC(=S)Nc1cccc2cc[nH]c12)c1cccc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL3058076 0.81 NPC1 (0.54) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3046724 0.81 NPC1 (0.58) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3044660 0.79 EPHX1 (0.69) ALDH1A1SMN1; SMN2
SCHEMBL3054874 0.78 SMN1; SMN2 (0.62) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3053780 0.78 SMN1; SMN2 (0.62) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL18203360 0.77 NPC1 (0.60) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3050928 0.77 MEN1 (0.61) NPC1ALDH1A1
SCHEMBL3054295 0.75 NPC1 (0.58) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3053904 0.75 EPHX1 (0.60)
SCHEMBL3054417 0.75 NPC1 (0.60) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2

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 NPC1 1071/4885ALDH1A1 2038/4885HPGD 670/4885

“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.