SCHEMBL2728835

SCHEMBL2728835

Cc1nc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPBWR1 P48145 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SOS1 Q07889 1/20 0.36
NPC1 O15118 1/20 0.35
JAK2 O60674 1/20 0.35
RAB9A P51151 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
F2 P00734 1/20 0.35

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
SCHEMBL159802 0.82 ALDH1A1 (0.46) ALDH1A1MAPTHSD17B10TDP1KDM4E
SCHEMBL28029436 0.79 ALDH1A1 (0.44) ALDH1A1MAPTHSD17B10TDP1KDM4E
SCHEMBL27860012 0.79 HSD17B10 (0.42) ALDH1A1MAPTHSD17B10TDP1KDM4E
Ammonia Solution, Strong SCHEMBL27768089 0.78 ALDH1A1 (0.43) ALDH1A1MAPTHSD17B10TDP1KDM4E
SCHEMBL23412499 0.76 DHFR (0.41) ALDH1A1MAPTHSD17B10TDP1KDM4E
SCHEMBL2488382 0.76 ALDH1A1 (0.41) ALDH1A1MAPTHSD17B10TDP1KDM4E
SCHEMBL30227675 0.76 CTSB (0.44) ALDH1A1MAPTHSD17B10TDP1KDM4E
SCHEMBL26126786 0.76 ALDH1A1 (0.46) ALDH1A1MAPTHSD17B10TDP1KDM4E
SCHEMBL31508124 0.76 ALDH1A1 (0.41) ALDH1A1MAPTHSD17B10TDP1KDM4E
SCHEMBL117763 0.76 CTSB (0.44) ALDH1A1MAPTHSD17B10TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2790511-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-09-14 EP disclosed
US-9206199-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed
US-20140336177-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2014-11-13 US disclosed
EP-2790511-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-10-22 EP disclosed
EP-2632464-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
WO-2013090271-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-06-20 WO disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
US-20070179295-A1 Triazolopyrimidines BAYER CROPSCIENCE AG (DE) 2007-08-02 US disclosed
US-20070179295-A1 Triazolopyrimidines BAYER CROPSCIENCE AG (DE) 2007-08-02 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-20070179295-A1 Triazolopyrimidines QDPR, DPYD, CYP1B1 ALDH1A1 431/4885MAPT 3281/4885HSD17B10 3521/4885
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 ALDH1A1 1549/4885MAPT 4110/4885HSD17B10 3153/4885
US-20140336177-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 ALDH1A1 1861/4885MAPT 4115/4885HSD17B10 3306/4885

“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.