SCHEMBL13239649

SCHEMBL13239649

Cc1ccc(CNS(=O)(=O)c2ccc3nnn(O)c3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
KDM4E B2RXH2 2/20 0.58
POLB P06746 1/20 0.51
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
CA12 O43570 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
ATM Q13315 1/20 0.49
CA9 Q16790 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP19A1 P11511 1/20 0.48
HPGD P15428 2/20 0.46

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
SCHEMBL13483457 0.82 ALDH1A1 (0.64) ALDH1A1KDM4EPOLBLMNASMN1; SMN2
SCHEMBL1858405 0.80 ALDH1A1 (0.56) ALDH1A1KDM4EPOLBLMNAHTT
SCHEMBL11348703 0.78 ALDH1A1 (0.60) ALDH1A1KDM4EPOLBLMNASMN1; SMN2
SCHEMBL19953708 0.75 HSD17B10 (0.57) ALDH1A1POLBLMNAHTTATM
SCHEMBL13239648 0.75 TP53 (0.54) ALDH1A1KDM4EPOLBLMNASMN1; SMN2
SCHEMBL25547142 0.74 CA12 (0.83) ALDH1A1KDM4ELMNASMN1; SMN2HTT
SCHEMBL13239650 0.74 CTNNB1 (0.45) ALDH1A1KDM4EPOLBSMN1; SMN2CYP3A4
SCHEMBL22954648 0.73 ALDH1A1 (0.65) ALDH1A1POLBLMNAHTTATM
SCHEMBL875653 0.72 ALDH1A1 (0.62) ALDH1A1KDM4EPOLBLMNAHTT
SCHEMBL3278850 0.71 MAPK1 (0.53) ALDH1A1KDM4EPOLBLMNASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501931-B2 Convertible nucleoside derivatives RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2013-08-06 US disclosed
US-8501931-B2 Convertible nucleoside derivatives RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2013-08-06 US disclosed
US-20100179312-A1 CONVERTIBLE NUCLEOSIDE DERIVATIVES LAKSHMAN MAHESH K 2010-07-15 US disclosed
WO-2008045535-A2 CONVERTIBLE NUCLEOSIDE DERIVATIVES RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2008-04-17 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-20100179312-A1 CONVERTIBLE NUCLEOSIDE DERIVATIVES PNP, NUDT1, NUDT14 ALDH1A1 1657/4885KDM4E 2851/4885POLB 255/4885

“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.