SCHEMBL6776819

SCHEMBL6776819

CC#Cc1cc([N+](=O)[O-])ccc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.46
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SLC6A3 Q01959 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 2/20 0.42
PKM P14618 1/20 0.42
RECQL P46063 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL6771753 0.86 HTT (0.44) HTTALDH1A1TDP1CYP3A4ALOX15
SCHEMBL19511585 0.85 ALDH1A1 (0.46) HTTALDH1A1TDP1CYP3A4ALOX15
SCHEMBL16050141 0.84 VCAM1 (0.53) HTTALDH1A1TDP1CYP3A4ALOX15
SCHEMBL16950465 0.84 HTT (0.46) HTTALDH1A1TDP1CYP3A4ALOX15
SCHEMBL6775538 0.84 ALDH1A1 (0.55) HTTALDH1A1TDP1CYP3A4ALOX15
SCHEMBL6771822 0.82 ALDH1A1 (0.43) HTTALDH1A1TDP1CYP3A4ALOX15
SCHEMBL6383101 0.82 HTT (0.41) HTTALDH1A1TDP1CYP3A4ALOX15
SCHEMBL1403472 0.80 ALDH1A1 (0.56) HTTALDH1A1TDP1CYP3A4ALOX15
SCHEMBL30203403 0.80 ALDH1A1 (0.56) HTTALDH1A1TDP1CYP3A4ALOX15
SCHEMBL1459233 0.79 ALDH1A1 (0.50) HTTALDH1A1TDP1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 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-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 HTT 3827/4885ALDH1A1 1121/4885TDP1 3740/4885

“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.