SCHEMBL3396618

SCHEMBL3396618

NC(=O)c1c(NC(=O)COc2c[nH]c3ccccc23)sc2c1CCC2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.69
▸ NTRK1 P04629 2/20 0.68
▸ NTRK2 Q16620 2/20 0.68
▸ FLT3 P36888 4/20 0.57
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ MAPT P10636 5/20 0.54
▸ LMNA P02545 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPK10 P53779 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ CASP6 P55212 1/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ CTDSP1 Q9GZU7 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52

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
SCHEMBL3397102 0.98 L3MBTL1 (0.67) L3MBTL1NTRK1NTRK2FLT3MEN1
SCHEMBL13159112 0.82 NTRK1 (0.79) L3MBTL1NTRK1NTRK2FLT3MEN1
SCHEMBL3398841 0.81 SMN1; SMN2 (0.56) L3MBTL1NTRK1NTRK2FLT3MEN1
SCHEMBL3395315 0.81 ALDH1A1 (0.76) L3MBTL1NTRK1NTRK2FLT3MEN1
SCHEMBL13159106 0.81 NTRK1 (0.88) L3MBTL1NTRK1NTRK2FLT3MEN1
SCHEMBL3398710 0.80 SMN1; SMN2 (0.58) L3MBTL1NTRK1NTRK2FLT3MEN1
SCHEMBL3396603 0.79 SMN1; SMN2 (0.76) L3MBTL1NTRK1NTRK2FLT3MEN1
SCHEMBL3789171 0.79 NTRK1 (0.52) L3MBTL1NTRK1NTRK2FLT3MEN1
SCHEMBL5451377 0.79 FLT3 (0.80) L3MBTL1FLT3MEN1KMT2AALDH1A1
SCHEMBL3795995 0.77 NTRK1 (0.50) L3MBTL1NTRK1NTRK2FLT3MEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222381-A1 Cyclopentathiophene/cyclohexathiophene DNA methyltransferase inhibitors VANKAYALAPATI HARIPRASAD 2010-09-02 — — US claimed
WO-2010098866-A1 CYCLOPENTATHIOPHENE/CYCLOHEXATHIOPHENE DNA METHYLTRANSFERASE INHIBITORS SUPERGEN, INC. (US) 2010-09-02 — — WO claimed
US-20100222381-A1 Cyclopentathiophene/cyclohexathiophene DNA methyltransferase inhibitors VANKAYALAPATI HARIPRASAD 2010-09-02 — — US disclosed
US-20100222381-A1 Cyclopentathiophene/cyclohexathiophene DNA methyltransferase inhibitors VANKAYALAPATI HARIPRASAD 2010-09-02 — — US disclosed
US-20100222381-A1 Cyclopentathiophene/cyclohexathiophene DNA methyltransferase inhibitors VANKAYALAPATI HARIPRASAD 2010-09-02 — — US disclosed
WO-2010098866-A1 CYCLOPENTATHIOPHENE/CYCLOHEXATHIOPHENE DNA METHYLTRANSFERASE INHIBITORS SUPERGEN, INC. (US) 2010-09-02 — — WO disclosed
WO-2010098866-A1 CYCLOPENTATHIOPHENE/CYCLOHEXATHIOPHENE DNA METHYLTRANSFERASE INHIBITORS SUPERGEN, INC. (US) 2010-09-02 — — WO 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-20100222381-A1 Cyclopentathiophene/cyclohexathiophene DNA methyltransferase inhibitors DNMT3B, DNMT1, DNMT3L L3MBTL1 675/4885NTRK1 2876/4885NTRK2 3065/4885

“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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