SCHEMBL3761599

SCHEMBL3761599

O=[N+]([O-])c1ccc2nnnc(Cl)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
OPRK1 P41145 1/20 0.48
HSD17B10 Q99714 1/20 0.46
PARP1 P09874 1/20 0.45
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
KCNJ1 P48048 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACHE P22303 1/20 0.43
CYP3A4 P08684 1/20 0.42
NAMPT P43490 1/20 0.42
XDH P47989 1/20 0.42
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 3/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL1091355 0.79 HSD17B10 (0.52) KMT2AOPRK1HSD17B10PARP1TXNRD1
SCHEMBL29595163 0.79 HSD17B10 (0.52) KMT2AOPRK1HSD17B10PARP1TXNRD1
SCHEMBL155127 0.77 EGFR (0.56) KMT2AOPRK1HSD17B10PARP1ALDH1A1
SCHEMBL29532414 0.77 KMT2A (0.67) KMT2AOPRK1HSD17B10PARP1TXNRD1
SCHEMBL2263219 0.77 KMT2A (0.67) KMT2AOPRK1HSD17B10PARP1TXNRD1
Hydrochloric Acid SCHEMBL2250729 0.75 EGFR (0.55) KMT2AOPRK1HSD17B10PARP1ALDH1A1
SCHEMBL4903261 0.75 HSD17B10 (0.49) KMT2AOPRK1HSD17B10PARP1TXNRD1
SCHEMBL2256399 0.74 KMT2A (0.56) KMT2AOPRK1ALDH1A1ACHEAPEX1
SCHEMBL4966085 0.74 KMT2A (0.52) KMT2AOPRK1HSD17B10PARP1TXNRD1
SCHEMBL3765439 0.72 EGFR (0.68) L3MBTL1ACHEHPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842805-B2 Pharmaceutical compounds as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2010-11-30 US disclosed
US-7842805-B2 Pharmaceutical compounds as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2010-11-30 US disclosed
US-7842805-B2 Pharmaceutical compounds as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2010-11-30 US disclosed
EP-1833803-A4 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS INC (US) 2009-08-05 EP disclosed
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 US disclosed
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 US disclosed
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 US disclosed
EP-1833803-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2007-09-19 EP disclosed
WO-2006074223-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2006-07-13 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-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CASP3, CASP2, CASP5 KMT2A 3884/4885OPRK1 4353/4885HSD17B10 1543/4885

“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.