SCHEMBL3395973

SCHEMBL3395973

CC(Sc1c[nH]c2ccccc12)C(=O)Nc1sc2c(c1C(N)=O)CCCC2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.74
LMNA P02545 3/20 0.74
MAPT P10636 3/20 0.74
RECQL P46063 1/20 0.74
KMT2A Q03164 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
MEN1 O00255 4/20 0.55
MAPK1 P28482 2/20 0.55
GAA P10253 1/20 0.53
FLT3 P36888 7/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
HPGD P15428 3/20 0.51
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
NTRK1 P04629 1/20 0.51
NTRK2 Q16620 1/20 0.51
CFTR P13569 2/20 0.50

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
SCHEMBL3397806 0.98 ALDH1A1 (0.77) ALDH1A1LMNAMAPTRECQLKMT2A
SCHEMBL3792503 0.85 ALDH1A1 (0.57) ALDH1A1LMNAMAPTRECQLKMT2A
SCHEMBL3789990 0.83 ALDH1A1 (0.59) ALDH1A1LMNAMAPTRECQLKMT2A
SCHEMBL3398710 0.82 SMN1; SMN2 (0.58) ALDH1A1LMNAMAPTRECQLKMT2A
SCHEMBL3396603 0.81 SMN1; SMN2 (0.76) ALDH1A1LMNAMAPTRECQLKMT2A
SCHEMBL3398841 0.80 SMN1; SMN2 (0.56) ALDH1A1LMNAMAPTRECQLKMT2A
SCHEMBL3395315 0.80 ALDH1A1 (0.76) ALDH1A1LMNAMAPTRECQLKMT2A
SCHEMBL21045585 0.78 ALDH1A1 (0.54) ALDH1A1LMNAMAPTRECQLKMT2A
SCHEMBL3397102 0.74 L3MBTL1 (0.67) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL3795995 0.74 NTRK1 (0.50) ALDH1A1LMNAMAPTRECQLKMT2A

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
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

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 982/4885LMNA 3392/4885MAPT 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.