SCHEMBL3053908

SCHEMBL3053908

O=C(NC(=S)Nc1cccc(-c2ccccc2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.63
▸ MEN1 O00255 7/20 0.63
▸ KMT2A Q03164 7/20 0.63
▸ MAPT P10636 5/20 0.63
▸ ALOX12 P18054 5/20 0.63
▸ GAA P10253 2/20 0.63
▸ CCR6 P51684 2/20 0.63
▸ KCNK3 O14649 1/20 0.63
▸ LMNA P02545 3/20 0.62
▸ NPC1 O15118 3/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ MIF P14174 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.59
▸ HTT P42858 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.58
▸ XBP1 P17861 1/20 0.58
▸ POLB P06746 1/20 0.57

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
SCHEMBL3056877 0.92 LMNA (0.64) ALDH1A1MEN1KMT2AMAPTALOX12
SCHEMBL3048213 0.90 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AMAPTALOX12
SCHEMBL14096446 0.89 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AMAPTALOX12
SCHEMBL24073967 0.87 KCNK3 (0.82) ALDH1A1MEN1KMT2AMAPTKCNK3
SCHEMBL11167105 0.86 RAB9A (0.80) ALDH1A1MEN1KMT2AMAPTALOX12
SCHEMBL4365523 0.85 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AMAPTALOX12
SCHEMBL3050288 0.84 NPC1 (0.65) ALDH1A1MEN1KMT2AMAPTALOX12
SCHEMBL3053989 0.82 ALDH1A1 (0.80) ALDH1A1MEN1KMT2AMAPTALOX12
SCHEMBL3048128 0.81 NPC1 (0.73) ALDH1A1MEN1KMT2AALOX12KCNK3
SCHEMBL3058013 0.81 NPC1 (0.65) ALDH1A1MEN1KMT2AMAPTALOX12

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 2038/4885MEN1 2556/4885KMT2A 4015/4885

“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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