SCHEMBL3397845

SCHEMBL3397845

CC(Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C(N)=O)CCC2

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.66
MAPT P10636 4/20 0.55
FLT3 P36888 6/20 0.53
CCR6 P51684 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4D Q08499 1/20 0.53
TP53 P04637 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.49

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
SCHEMBL13183040 0.84 SMN1; SMN2 (0.68) SMN1; SMN2MAPTFLT3TP53RAB9A
SCHEMBL3397824 0.83 CCR6 (0.53) SMN1; SMN2MAPTFLT3CCR6PDE4B
SCHEMBL3397527 0.80 FLT3 (0.71) MAPTFLT3CCR6PDE4BPDE4D
SCHEMBL22789471 0.77 FLT3 (0.67) SMN1; SMN2MAPTFLT3RAB9AMEN1
SCHEMBL5453184 0.77 CCR6 (0.60) SMN1; SMN2MAPTFLT3CCR6PDE4B
SCHEMBL5456038 0.77 FLT3 (0.56) SMN1; SMN2MAPTFLT3CCR6PDE4B
SCHEMBL3914715 0.76 FLT3 (0.74) MAPTFLT3CCR6PDE4BPDE4D
SCHEMBL5458413 0.76 KMT2A (0.64) SMN1; SMN2MAPTFLT3CCR6PDE4B
SCHEMBL22789505 0.75 FLT3 (0.63) SMN1; SMN2MAPTFLT3RAB9AMEN1
SCHEMBL3397867 0.74 NPC1 (0.58) SMN1; SMN2MAPTFLT3CCR6PDE4B

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 5 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

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 SMN1; SMN2 2791/4885MAPT 1024/4885FLT3 2295/4885

“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.