SCHEMBL3395075

SCHEMBL3395075

CC(Sc1ccc([N+](=O)[O-])nc1)C(=O)Nc1sc2c(c1C(N)=O)CCC2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HPGD P15428 3/20 0.50
CCR6 P51684 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4D Q08499 1/20 0.49
MAPT P10636 5/20 0.48
ATM Q13315 1/20 0.47
NPC1 O15118 6/20 0.46
RAB9A P51151 5/20 0.46
MEN1 O00255 1/20 0.46
CASP3 P42574 1/20 0.46
KMT2A Q03164 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
KDM4E B2RXH2 2/20 0.46
FLT3 P36888 6/20 0.46
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CFTR P13569 1/20 0.44

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
SCHEMBL3397824 0.86 CCR6 (0.53) ALDH1A1HPGDCCR6PDE4BPDE4D
SCHEMBL13183043 0.84 ALDH1A1 (0.51) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL3394598 0.82 ALDH1A1 (0.54) ALDH1A1HPGDCCR6PDE4BPDE4D
SCHEMBL13183041 0.79 ALDH1A1 (0.53) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL3397845 0.72 SMN1; SMN2 (0.66) CCR6PDE4BPDE4DMAPTATM
SCHEMBL26740021 0.71 ALDH1A1 (0.51) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL20936275 0.70 ALDH1A1 (0.54) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL22404725 0.70 ALDH1A1 (0.52) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL21045577 0.70 NPC1 (0.61) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL20548014 0.70 KDM4E (0.68) ALDH1A1HPGDMAPTNPC1RAB9A

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 ALDH1A1 982/4885HPGD 2306/4885CCR6 2654/4885

“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.