SCHEMBL578924

SCHEMBL578924

O=[N+]([O-])Nc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TLR4 O00206 1/20 0.48
TLR2 O60603 1/20 0.48
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
PKM P14618 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
VCP P55072 1/20 0.44
LMNA P02545 1/20 0.44
HIF1A Q16665 1/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL6399598 0.76 CTSD (0.48) KMT2AALDH1A1L3MBTL1NPC1RAB9A
Nitroanilide SCHEMBL6001 0.73 L3MBTL1 (0.50) KMT2AMEN1ALDH1A1L3MBTL1RAB9A
Nitroanilide SCHEMBL5718352 0.73 L3MBTL1 (0.50) KMT2AMEN1ALDH1A1L3MBTL1RAB9A
SCHEMBL3956328 0.73 TLR4 (0.56) CYP11B1CYP11B2KMT2AMEN1TLR4
SCHEMBL13037068 0.73 HPGD (0.66) CYP11B1CYP11B2KMT2AMEN1TLR4
Nitric Acid SCHEMBL4682608 0.72 L3MBTL1 (0.50) CYP11B1CYP11B2KMT2AMEN1ALDH1A1
SCHEMBL3956322 0.72 TLR4 (0.48) CYP11B1CYP11B2KMT2AMEN1TLR4
SCHEMBL5996779 0.72 CYP11B1 (0.54) CYP11B1CYP11B2KMT2AMEN1TLR4
SCHEMBL3956325 0.72 TLR4 (0.48) CYP11B1CYP11B2KMT2AMEN1TLR4
Nitroanilide SCHEMBL3094185 0.72 L3MBTL1 (0.48) KMT2AMEN1ALDH1A1L3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107954988-A A kind of sulfamide derivative, preparation method and its application as NAMPT inhibitor in antitumor drug 田立志 2018-04-24 CN disclosed
EP-2417136-B1 IMIDAZO [1,2-A] PYRIDINE-6-CARBOXAMIDE DERIVATIVES, THEIR USE FOR THE TREATMENT OF COLON CANCER AND THEIR METHOD OF MANUFACTURE UNIV WITWATERSRAND JOHANNESBURG (ZA) 2016-01-06 EP disclosed
US-8481740-B2 Imidazo[1,2 a] pyridine-6-carboxamide derivatives, their use for the treatment of colon cancer and their method of manufacture UNIVERSITY OF THE WITWATERSRAND, JOHANNESBURG (ZA) 2013-07-09 US disclosed
US-20120101122-A1 IMIDAZO[1,2 A] PYRIDINE 6 CARBOXAMIDE DERIVATIVES, THEIR USE FOR THE TREATMENT OF COLON CANCER AND THEIR METHOD OF MANUFACTURE UNIVERSITY OF THE WITWATERSRAND, JOHANNESBURG (ZA) 2012-04-26 US disclosed
EP-2417136-A1 IMIDAZ0Ý1,2-A¨PYRIDINE-6-CARBOXAMIDE DERIVATIVES, THEIR USE FOR THE TREATMENT OF COLON CANCER AND THEIR METHOD OF MANUFACTURE University Of Witwatersrand, Johannesburg (ZA) 2012-02-15 EP disclosed
WO-2010116302-A1 IMIDAZ0[1,2-A] PYRIDINE-6-CARBOXAMIDE DERIVATIVES, THEIR USE FOR THE TREATMENT OF COLON CANCER AND THEIR METHOD OF MANUFACTURE UNIVERSITY OF THE WITWATERSRAND, JOHANNESBURG (ZA) 2010-10-14 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-20120101122-A1 IMIDAZO[1,2 A] PYRIDINE 6 CARBOXAMIDE DERIVATIVES, THEIR USE FOR THE TREATMENT OF COLON CANCER AND THEIR METHOD OF MANUFACTURE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR1 CYP11B1 250/4885CYP11B2 385/4885KMT2A 51/4885

“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.