SCHEMBL3054874

SCHEMBL3054874

O=C(NC(=S)Nc1ccc2cc[nH]c2c1)c1cccc(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
ALDH1A1 P00352 2/20 0.62
NPC1 O15118 1/20 0.62
HPGD P15428 1/20 0.62
RAB9A P51151 1/20 0.62
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
MAPT P10636 2/20 0.57
TDP1 Q9NUW8 1/20 0.56
ESR1 P03372 1/20 0.55

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
SCHEMBL3053780 0.91 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1NPC1HPGDRAB9A
SCHEMBL3050086 0.82 MEN1 (0.70) SMN1; SMN2ALDH1A1NPC1HPGDRAB9A
SCHEMBL3046207 0.81 SMN1; SMN2 (0.84) SMN1; SMN2ALDH1A1NPC1HPGDRAB9A
SCHEMBL3059631 0.80 ALDH1A1 (0.76) SMN1; SMN2ALDH1A1NPC1HPGDRAB9A
SCHEMBL4719529 0.78 NPC1 (0.73) NPC1RAB9AMAPTESR1
SCHEMBL3058076 0.78 NPC1 (0.54) SMN1; SMN2ALDH1A1NPC1HPGDRAB9A
SCHEMBL3059366 0.78 NPC1 (0.54) SMN1; SMN2ALDH1A1NPC1HPGDRAB9A
SCHEMBL3049551 0.78 NPC1 (0.78) SMN1; SMN2ALDH1A1NPC1HPGDRAB9A
SCHEMBL1122533 0.77 NPC1 (0.76) SMN1; SMN2ALDH1A1NPC1HPGDRAB9A
SCHEMBL3048252 0.77 EPHX1 (0.70) SMN1; SMN2ALDH1A1NPC1HPGDRAB9A

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 SMN1; SMN2 2992/4885ALDH1A1 2038/4885NPC1 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.