SCHEMBL3048252

SCHEMBL3048252

O=C(NC(=S)Nc1ccc(Br)cc1)c1cccc(Cl)c1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
MAPT P10636 2/20 0.70
ALDH1A1 P00352 2/20 0.68
NPC1 O15118 1/20 0.68
HPGD P15428 1/20 0.68
RAB9A P51151 1/20 0.68
TDP1 Q9NUW8 1/20 0.64

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
SCHEMBL3059631 0.90 ALDH1A1 (0.76) EPHX1SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL3054545 0.88 ALDH1A1 (0.74) SMN1; SMN2MAPTALDH1A1NPC1HPGD
SCHEMBL3049551 0.87 NPC1 (0.78) EPHX1SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL3050539 0.86 ALDH1A1 (0.70) EPHX1SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL3049979 0.86 SMN1; SMN2 (0.90) SMN1; SMN2MAPTALDH1A1NPC1HPGD
SCHEMBL3046207 0.86 SMN1; SMN2 (0.84) SMN1; SMN2MAPTALDH1A1NPC1HPGD
SCHEMBL2565385 0.86 TP53 (0.78) SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL5453685 0.85 ALDH1A1 (0.70) SMN1; SMN2MAPTALDH1A1NPC1HPGD
Hydrochloric Acid SCHEMBL3718954 0.85 SMN1; SMN2 (0.68) SMN1; SMN2MAPTALDH1A1NPC1HPGD
SCHEMBL3050273 0.85 ALDH1A1 (0.68) EPHX1SMN1; SMN2MAPTALDH1A1NPC1

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 EPHX1 1571/4885SMN1; SMN2 2992/4885MAPT 2714/4885

“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.