SCHEMBL13239648

SCHEMBL13239648

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.54
TDP1 Q9NUW8 2/20 0.52
MAPT P10636 3/20 0.51
TSHR P16473 1/20 0.50
ALDH1A1 P00352 6/20 0.49
HPGD P15428 4/20 0.49
KDM4E B2RXH2 3/20 0.49
CYP2C9 P11712 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
MCL1 Q07820 1/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL8349030 0.82 PDE2A (0.49) TP53MAPTALDH1A1PDE2A
SCHEMBL10328049 0.78 SMN1; SMN2 (0.54) TP53MAPTALDH1A1HPGDKDM4E
SCHEMBL13932522 0.75 ALDH1A1 (0.78) TDP1MAPTALDH1A1HPGDKDM4E
SCHEMBL13239649 0.75 ALDH1A1 (0.58) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL13239650 0.74 CTNNB1 (0.45) ALDH1A1KDM4ESMN1; SMN2CYP2C19POLB
SCHEMBL19286335 0.73 NR1H4 (0.80) TP53TDP1MAPTALDH1A1HPGD
SCHEMBL3278850 0.72 MAPK1 (0.53) MAPTALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL17231376 0.72 ALDH1A1 (0.60) TP53TDP1MAPTALDH1A1KDM4E
SCHEMBL16326268 0.72 MAPT (0.54) TP53TDP1MAPTALDH1A1HPGD
SCHEMBL13491647 0.72 NAMPT (0.62) TP53TDP1MAPTALDH1A1HPGD

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 TP53 4142/4885TDP1 112/4885MAPT 2186/4885

“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.