SCHEMBL13159113

SCHEMBL13159113

N#Cc1c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.60
LMNA P02545 7/20 0.60
MAPT P10636 3/20 0.58
TSHR P16473 2/20 0.58
USP2 O75604 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
MITF O75030 2/20 0.58
GAA P10253 2/20 0.58
HTT P42858 1/20 0.58
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
POLB P06746 4/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HSD17B10 Q99714 2/20 0.55
RAB9A P51151 4/20 0.55
NPC1 O15118 2/20 0.55

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
SCHEMBL13187811 0.85 ALDH1A1 (0.47) ALDH1A1LMNAMAPTTSHRUSP2
SCHEMBL13159104 0.83 NPC1 (0.60) ALDH1A1LMNAMAPTTSHRUSP2
SCHEMBL3282264 0.81 MAPK10 (0.72) ALDH1A1LMNAMAPTUSP2SMN1; SMN2
SCHEMBL3397867 0.81 NPC1 (0.58) ALDH1A1LMNAMAPTTSHRSMN1; SMN2
SCHEMBL3278375 0.76 MAPK10 (0.66) ALDH1A1LMNAMAPTUSP2SMN1; SMN2
SCHEMBL3279376 0.74 HPGD (0.67) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL8288555 0.74 ALDH1A1 (0.70) ALDH1A1LMNAMAPTTSHRUSP2
SCHEMBL3279111 0.74 HPGD (0.70) ALDH1A1LMNAMAPTUSP2SMN1; SMN2
SCHEMBL6248815 0.73 MEN1 (0.81) ALDH1A1LMNAMAPTUSP2SMN1; SMN2
SCHEMBL11369250 0.72 ALDH1A1 (0.97) ALDH1A1LMNAMAPTUSP2SMN1; SMN2

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 3 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 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.