SCHEMBL1883258

SCHEMBL1883258

Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.71
KMT2A Q03164 8/20 0.71
RAB9A P51151 6/20 0.68
NPC1 O15118 5/20 0.68
POLB P06746 3/20 0.68
MITF O75030 1/20 0.68
THRA P10827 1/20 0.61
MAPT P10636 5/20 0.61
BLM P54132 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
ALPG P10696 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
GFER P55789 1/20 0.61
PTGS1 P23219 1/20 0.60
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60

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
SCHEMBL2127722 0.86 PTGS1 (0.77) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL18050985 0.86 MEN1 (0.63) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL6816842 0.86 KMT2A (0.86) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL13622980 0.84 KMT2A (0.76) MEN1KMT2ARAB9ANPC1POLB
Hydrochloric Acid SCHEMBL1026362 0.83 KMT2A (0.74) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL31171945 0.83 PTGS1 (0.72) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL309467 0.83 PTGS1 (0.72) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL13802456 0.83 MEN1 (0.71) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL22251590 0.83 MEN1 (0.71) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL3817483 0.83 MEN1 (0.71) MEN1KMT2ARAB9ANPC1POLB

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110256092-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2011-10-20 US disclosed
US-20110256092-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2011-10-20 US disclosed
US-7939546-B2 Quinoline derivatives for modulating DNA methylation SUPERGEN, INC. (US) 2011-05-10 US disclosed
US-7939546-B2 Quinoline derivatives for modulating DNA methylation SUPERGEN, INC. (US) 2011-05-10 US disclosed
US-7939546-B2 Quinoline derivatives for modulating DNA methylation SUPERGEN, INC. (US) 2011-05-10 US disclosed
CN-101889008-A Be used to regulate the quinoline of dna methylation SUPERGEN INC 2010-11-17 CN disclosed
US-7790746-B2 Quinoline derivatives for modulating DNA methylation SUPERGEN, INC. (US) 2010-09-07 US disclosed
US-7790746-B2 Quinoline derivatives for modulating DNA methylation SUPERGEN, INC. (US) 2010-09-07 US disclosed
US-7790746-B2 Quinoline derivatives for modulating DNA methylation SUPERGEN, INC. (US) 2010-09-07 US disclosed
EP-2205586-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SuperGen, Inc. (US) 2010-07-14 EP disclosed
CN-101535295-A Quinoline derivatives for modulating DNA methylation SUPERGEN INC (US) 2009-09-16 CN disclosed
US-20090099106-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-04-16 US disclosed
US-20090099106-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-04-16 US disclosed
US-20090099106-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-04-16 US disclosed
WO-2009049132-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-04-16 WO disclosed
WO-2009049132-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-04-16 WO disclosed
US-20080175814-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2008-07-24 US disclosed
US-20080175814-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2008-07-24 US disclosed
US-20080175814-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2008-07-24 US disclosed
WO-2008046085-A2 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (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 (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-20080175814-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L MEN1 1863/4885KMT2A 28/4885RAB9A 2538/4885
US-20110256092-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L MEN1 1863/4885KMT2A 28/4885RAB9A 2538/4885
US-20090099106-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L MEN1 1863/4885KMT2A 28/4885RAB9A 2538/4885

“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.