SCHEMBL20697644

SCHEMBL20697644

Nc1cc(N)c(N=Nc2ccc([SH](=O)=O)cc2)c(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.41
MEN1 O00255 9/20 0.41
TDP1 Q9NUW8 8/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 4/20 0.39
CYP2C19 P33261 3/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 6/20 0.38
POLB P06746 4/20 0.38
RECQL P46063 4/20 0.38
THRB P10828 3/20 0.38
BLM P54132 2/20 0.38
USP2 O75604 2/20 0.38
PKM P14618 1/20 0.38
APEX1 P27695 1/20 0.38
MCL1 Q07820 1/20 0.38
ATM Q13315 1/20 0.38
KDR P35968 2/20 0.37

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
SCHEMBL31634616 0.84 KMT2A (0.54) KMT2AMEN1TDP1KDM4EHSD17B10
Sulfachrysoidine SCHEMBL49739 0.80 PTGS2 (0.60) KMT2AMEN1TDP1HSD17B10CYP1A2
Sulfachrysoidine SCHEMBL49738 0.80 PTGS2 (0.60) KMT2AMEN1TDP1HSD17B10CYP1A2
SCHEMBL17471609 0.76 MEN1 (0.44) KMT2AMEN1TDP1KDM4EHSD17B10
SCHEMBL11925227 0.73 PTPN11 (0.50) KMT2AMEN1TDP1KDM4EHSD17B10
SCHEMBL31634579 0.72 CCNE2 (0.55) KMT2AMEN1TDP1KDM4ECYP2C19
SCHEMBL14183998 0.70 TDP1 (0.60) KMT2AMEN1TDP1KDM4EHSD17B10
SCHEMBL13619065 0.69 KMT2A (0.46) KMT2AMEN1TDP1KDM4EHSD17B10
SCHEMBL13065575 0.68 HSD17B10 (0.49) KMT2AMEN1TDP1KDM4EHSD17B10
SCHEMBL12906940 0.67 MAPT (0.44) KMT2AMEN1TDP1KDM4EHSD17B10

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-10428058-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2019-10-01 US disclosed
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-09-19 US disclosed
US-20190031648-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES PHARMA IRELAND LTD (IE) 2019-01-31 US 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 (3 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-20190031648-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 KMT2A 1192/4885MEN1 1428/4885TDP1 3433/4885
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 KMT2A 1192/4885MEN1 1428/4885TDP1 3433/4885
US-10428058-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 KMT2A 1192/4885MEN1 1428/4885TDP1 3433/4885

“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.