SCHEMBL3049345

SCHEMBL3049345

CCc1cccc(CC)c1NC(=S)NC(=O)c1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.63
▸ NPC1 O15118 1/20 0.63
▸ HPGD P15428 1/20 0.63
▸ RAB9A P51151 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ KDM4E B2RXH2 1/20 0.60
▸ POLB P06746 1/20 0.60

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
SCHEMBL3054417 0.87 NPC1 (0.60) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL3055302 0.82 SMN1; SMN2 (0.69) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL3054219 0.81 SMN1; SMN2 (0.73) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL3046207 0.79 SMN1; SMN2 (0.84) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL28135897 0.79 ALDH1A1 (0.53) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL3059631 0.78 ALDH1A1 (0.76) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL3049551 0.78 NPC1 (0.78) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL3049979 0.77 SMN1; SMN2 (0.90) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL16030042 0.77 ALDH1A1 (0.62) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL3049631 0.76 SMN1; SMN2 (0.79) ALDH1A1NPC1HPGDRAB9ASMN1; 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 ALDH1A1 2038/4885NPC1 1071/4885HPGD 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.

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