SCHEMBL3398841

SCHEMBL3398841

CC(Oc1c[nH]c2ccccc12)C(=O)Nc1sc2c(c1C(N)=O)CCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
RECQL P46063 2/20 0.55
NTRK1 P04629 1/20 0.55
NTRK2 Q16620 1/20 0.55
KMT2A Q03164 5/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
MEN1 O00255 4/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
FLT3 P36888 6/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
THRB P10828 1/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 1/20 0.47
CFTR P13569 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL3398710 0.98 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1MAPTLMNARECQL
SCHEMBL3789171 0.85 NTRK1 (0.52) SMN1; SMN2ALDH1A1MAPTLMNARECQL
SCHEMBL3795995 0.83 NTRK1 (0.50) SMN1; SMN2ALDH1A1MAPTLMNARECQL
SCHEMBL3397806 0.82 ALDH1A1 (0.77) SMN1; SMN2ALDH1A1MAPTLMNARECQL
SCHEMBL3396618 0.81 L3MBTL1 (0.69) SMN1; SMN2ALDH1A1MAPTLMNANTRK1
SCHEMBL3395973 0.80 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1MAPTLMNARECQL
SCHEMBL3397102 0.80 L3MBTL1 (0.67) SMN1; SMN2ALDH1A1MAPTLMNANTRK1
SCHEMBL13183040 0.74 SMN1; SMN2 (0.68) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL3395315 0.74 ALDH1A1 (0.76) SMN1; SMN2ALDH1A1MAPTLMNARECQL
SCHEMBL3789990 0.74 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1MAPTLMNARECQL

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 SMN1; SMN2 2791/4885ALDH1A1 982/4885MAPT 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.