SCHEMBL2582014

SCHEMBL2582014

O=C(CC(O)c1ccccc1)NCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
CYP2C19 P33261 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
ALDH1A1 P00352 4/20 0.51
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.50
PTPN1 P18031 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TACR1 P25103 2/20 0.47

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
SCHEMBL515257 0.84 NPC1 (0.61) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1252918 0.78 KMT2A (0.64) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2581202 0.77 ALDH1A1 (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL515116 0.76 MEN1 (0.66) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL513749 0.76 NPC1 (0.62) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3957352 0.75 CYP2C19 (0.60) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9366252 0.75 ALDH1A1 (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL20511418 0.74 MEN1 (0.62) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10341802 0.74 NPC1 (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9700935 0.74 KMT2A (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048825-B2 Haloalkylsulfonanilide derivatives or salt thereof, herbicide comprising the derivatives as active ingredient, and use of the herbicide NIHON NOHYAKU CO., LTD. (JP) 2011-11-01 US disclosed
US-20100016164-A1 HALOALKYLSULFONANILIDE DERIVATIVES OR SALT THEREOF, HERBICIDE COMPRISING THE DERIVATIVES AS ACTIVE INGREDIENT, AND USE OF THE HERBICIDE NIHON NOHYAKU CO., LTD. (JP) 2010-01-21 US disclosed
EP-2085392-A1 HALOALKYLSULFONANILIDE DERIVATIVE OR SALT THEREOF, HERBICIDE COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT, AND USE OF THE HERBICIDE Nihon Nohyaku CO., LTD. (JP) 2009-08-05 EP 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-20100016164-A1 HALOALKYLSULFONANILIDE DERIVATIVES OR SALT THEREOF, HERBICIDE COMPRISING THE DERIVATIVES AS ACTIVE INGREDIENT, AND USE OF THE HERBICIDE HDHD5, CBR3, DHRS9 NPC1 4358/4885RAB9A 202/4885MEN1 4682/4885

“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.