SCHEMBL5031319

SCHEMBL5031319

O=[N+]([O-])c1cccc(Nc2nc(Cl)nc(Cl)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
MAPK1 P28482 2/20 0.56
POLB P06746 2/20 0.55
KDM4E B2RXH2 1/20 0.55
GLA P06280 1/20 0.55
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ABL1 P00519 3/20 0.54
BCR P11274 3/20 0.54
PRKCA P17252 3/20 0.54
CCNA2 P20248 1/20 0.53
CDK2 P24941 1/20 0.53
CDK5 Q00535 1/20 0.53
CDK5R1 Q15078 1/20 0.53
EGFR P00533 1/20 0.53
SRC P12931 1/20 0.53

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
SCHEMBL2462947 0.86 ABL1 (0.56) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL16010896 0.84 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL5032293 0.83 CTSL (0.76) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL10429472 0.82 ABL1 (0.57) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL15828834 0.81 ABCG2 (0.48) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL8913032 0.81 ABCG2 (0.70) NFKB1KMT2AMEN1ALDH1A1MAPT
SCHEMBL27815788 0.80 ABCG2 (0.64) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL1592591 0.80 ABCG2 (0.63) KMT2AMEN1MAPTGAASMN1; SMN2
SCHEMBL20820089 0.80 NFKB1 (0.76) NFKB1KMT2AMEN1ALDH1A1MAPT
SCHEMBL394734 0.80 KMT2A (0.67) KMT2AMEN1ALDH1A1MAPTPOLB

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-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
WO-2005103015-A1 TRIAZINE COMPOUNDS AND THEIR ANALOGS, COMPOSITIONS, AND METHODS REDDY US THERAPEUTICS, INC. (US) 2005-11-03 WO disclosed
US-20050227983-A1 Triazine compounds and their analogs, compositions, and methods DR. REDDY'S LABORATORIES LTD. (IN) 2005-10-13 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 (2 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-20050227983-A1 Triazine compounds and their analogs, compositions, and methods MYLK, SMAD3, GID4 NFKB1 449/4885KMT2A 2898/4885MEN1 4559/4885
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 NFKB1 756/4885KMT2A 3738/4885MEN1 3779/4885

“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.