SCHEMBL3056877

SCHEMBL3056877

O=C(NC(=S)Nc1ccc(-c2ccccc2)cc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.64
▸ ALDH1A1 P00352 7/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ MEN1 O00255 4/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ PKM P14618 1/20 0.61
▸ CRHBP P24387 1/20 0.61
▸ CRHR2 Q13324 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ MIF P14174 2/20 0.60
▸ GAA P10253 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ ALOX12 P18054 1/20 0.58
▸ CCR6 P51684 1/20 0.58
▸ KCNK3 O14649 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ L3MBTL1 Q9Y468 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
SCHEMBL3053908 0.92 ALDH1A1 (0.63) LMNAALDH1A1KMT2AMEN1RAB9A
SCHEMBL3039438 0.87 ALDH1A1 (0.76) LMNAALDH1A1KMT2AMEN1RAB9A
SCHEMBL14096446 0.85 ALDH1A1 (0.69) LMNAALDH1A1KMT2AMEN1RAB9A
SCHEMBL28945218 0.84 EPHX1 (0.73) LMNAALDH1A1KMT2AMEN1RAB9A
SCHEMBL3056870 0.84 KMT2A (0.66) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL3048213 0.81 ALDH1A1 (0.67) LMNAALDH1A1KMT2AMEN1RAB9A
SCHEMBL4365523 0.81 ALDH1A1 (0.69) LMNAALDH1A1KMT2AMEN1RAB9A
SCHEMBL3050991 0.81 EPHX1 (0.68) LMNAALDH1A1KMT2AMEN1RAB9A
SCHEMBL3053761 0.81 ALDH1A1 (0.68) LMNAALDH1A1KMT2AMEN1RAB9A
SCHEMBL3050273 0.81 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1RAB9ANPC1

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 LMNA 1520/4885ALDH1A1 2038/4885KMT2A 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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