SCHEMBL3053989

SCHEMBL3053989

O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.80
▸ MAPT P10636 5/20 0.80
▸ SMN1; SMN2 Q16637 3/20 0.80
▸ MEN1 O00255 3/20 0.80
▸ KMT2A Q03164 3/20 0.80
▸ LMNA P02545 2/20 0.80
▸ HTT P42858 2/20 0.80
▸ CYP1A2 P05177 1/20 0.70
▸ CYP3A4 P08684 1/20 0.70
▸ CYP2D6 P10635 1/20 0.70
▸ CYP2C19 P33261 1/20 0.70
▸ NPC1 O15118 1/20 0.70
▸ HPGD P15428 1/20 0.70
▸ RAB9A P51151 1/20 0.70
▸ GAA P10253 2/20 0.67
▸ ALOX12 P18054 2/20 0.67
▸ CCR6 P51684 2/20 0.67
▸ TDP1 Q9NUW8 1/20 0.65
▸ NPSR1 Q6W5P4 1/20 0.64
▸ RXFP1 Q9HBX9 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
SCHEMBL3059584 0.89 SMN1; SMN2 (0.69) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL14096446 0.87 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL3046207 0.87 SMN1; SMN2 (0.84) ALDH1A1MAPTSMN1; SMN2NPC1HPGD
SCHEMBL5837764 0.87 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23539712 0.85 MAPT (0.70) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9900412 0.85 MAPT (0.69) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL827719 0.84 MAPT (0.64) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL3051204 0.84 NPC1 (0.74) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL3049551 0.83 NPC1 (0.78) ALDH1A1MAPTSMN1; SMN2NPC1HPGD
SCHEMBL30387868 0.83 MAPT (1.00) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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 4 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
CN-101855203-A F1F0Inhibitors of ATP synthase and related methods UNIV MICHIGAN 2010-10-06 — — CN 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 2038/4885MAPT 2714/4885SMN1; SMN2 2992/4885

“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.

Send feedback