SCHEMBL29546147

SCHEMBL29546147

CCOc1cc(C(=O)O)c([N+](=O)[O-])cc1OC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
POLB P06746 1/20 0.53
TSHR P16473 2/20 0.51
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 2/20 0.51
CYP3A4 P08684 2/20 0.51
MEN1 O00255 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 3/20 0.50
PKM P14618 2/20 0.50
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL8125388 1.00 HTT (0.56) HTTPOLBTSHRHSD17B10NPC1
SCHEMBL13948927 0.94 TSHR (0.57) HTTPOLBTSHRHSD17B10NPC1
SCHEMBL2610746 0.90 POLB (0.54) HTTPOLBHSD17B10NPC1CYP3A4
SCHEMBL375897 0.89 PKM (0.59) HTTPOLBHSD17B10NPC1CYP3A4
SCHEMBL31549975 0.89 PKM (0.59) HTTPOLBHSD17B10NPC1CYP3A4
SCHEMBL7006941 0.89 HTT (0.54) HTTPOLBNPC1CYP3A4MEN1
SCHEMBL2150376 0.89 HTT (0.53) HTTPOLBNPC1CYP3A4MEN1
SCHEMBL7521404 0.89 HTT (0.56) HTTPOLBTSHRNPC1CYP3A4
Methyl Alcohol SCHEMBL27781670 0.88 PKM (0.58) HTTPOLBHSD17B10NPC1CYP3A4
SCHEMBL13785253 0.88 HTT (0.53) HTTPOLBNPC1CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220106301-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME Health Hope Pharma Limited (HK) 2022-04-07 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 (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-20220106301-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME ABCB1, ABCC1, UGT2B7 HTT 4254/4885POLB 653/4885TSHR 4027/4885

“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.