SCHEMBL3397527

SCHEMBL3397527

NC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CCC2

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.71
L3MBTL1 Q9Y468 1/20 0.62
MAPT P10636 6/20 0.61
NPC1 O15118 1/20 0.58
TP53 P04637 2/20 0.57
THRB P10828 1/20 0.56
KDM4E B2RXH2 1/20 0.55
MAPK1 P28482 1/20 0.55
POLB P06746 2/20 0.54
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
MAPK10 P53779 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CCR6 P51684 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4D Q08499 1/20 0.52
NTRK1 P04629 1/20 0.52
NTRK2 Q16620 1/20 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
SCHEMBL13159105 0.85 RXFP1 (0.64) FLT3MAPTTP53KDM4EMAPK1
SCHEMBL34468515 0.85 POLB (0.76) FLT3MAPTTP53THRBKDM4E
SCHEMBL13183042 0.84 FLT3 (0.74) FLT3L3MBTL1MAPTNPC1TP53
SCHEMBL3914715 0.83 FLT3 (0.74) FLT3L3MBTL1MAPTNPC1TP53
SCHEMBL5451377 0.83 FLT3 (0.80) FLT3L3MBTL1MAPTNPC1TP53
SCHEMBL3397867 0.82 NPC1 (0.58) FLT3L3MBTL1MAPTNPC1TP53
SCHEMBL3397845 0.80 SMN1; SMN2 (0.66) FLT3MAPTNPC1TP53KDM4E
SCHEMBL13159104 0.80 NPC1 (0.60) FLT3L3MBTL1MAPTNPC1TP53
SCHEMBL5453184 0.78 CCR6 (0.60) FLT3MAPTNPC1ALDH1A1LMNA
SCHEMBL8290601 0.77 L3MBTL1 (0.72) FLT3L3MBTL1MAPTTP53KDM4E

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 6 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
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 FLT3 2295/4885L3MBTL1 675/4885MAPT 1024/4885

“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.