SCHEMBL8600652

SCHEMBL8600652

CCCCCNc1cccnc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.46
MAPT P10636 7/20 0.43
KMT2A Q03164 2/20 0.43
NSD2 O96028 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
UTS2R Q9UKP6 1/20 0.42
LMNA P02545 2/20 0.41
KAT2B Q92831 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.38

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
SCHEMBL19897482 0.96 MAPT (0.46) HCAR3MAPTKMT2ANSD2NPSR1
SCHEMBL9978032 0.83 ALDH1A1 (0.45) MAPTKMT2ANSD2NPSR1UTS2R
SCHEMBL8598700 0.83 HCAR3 (0.44) HCAR3MAPTUTS2RKAT2BL3MBTL1
SCHEMBL2483154 0.83 SMN1; SMN2 (0.46) HCAR3MAPTKMT2ANSD2NPSR1
SCHEMBL9978083 0.82 PKM (0.41) MAPTKMT2ANSD2NPSR1LMNA
SCHEMBL7697934 0.81 MAPT (0.59) MAPTKMT2ANSD2NPSR1KAT2B
SCHEMBL8596871 0.77 LMNA (0.67) HCAR3MAPTKMT2ANSD2NPSR1
SCHEMBL1170743 0.76 KAT2B (0.69) HCAR3MAPTKMT2ALMNAKAT2B
SCHEMBL8597516 0.76 HTT (0.52) LMNAL3MBTL1ALDH1A1SMN1; SMN2HTT
SCHEMBL8599314 0.76 RECQL (0.51) KMT2ALMNAL3MBTL1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10471139-B2 Toll-like receptor agonists THE UNIVERSITY OF KANSAS (US) 2019-11-12 US disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 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 (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-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 HCAR3 152/4885MAPT 323/4885KMT2A 3217/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 HCAR3 152/4885MAPT 323/4885KMT2A 3217/4885

“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.