SCHEMBL13833745

SCHEMBL13833745

O=C(N1CCc2c(cc([N+](=O)[O-])cc2-c2nc3ccccc3s2)C1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.42
APP P05067 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
UHRF1 Q96T88 2/20 0.40
ALDH1A1 P00352 7/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
EGFR P00533 1/20 0.39
INSR P06213 1/20 0.39
IGF1R P08069 1/20 0.39
PDGFRB P09619 1/20 0.39
SRC P12931 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL14788101 0.88 MAPT (0.48) MMP13APPMMP2MMP9MMP8
SCHEMBL13833761 0.85 KDM4E (0.44) APPUHRF1ALDH1A1MEN1KMT2A
SCHEMBL13833746 0.81 KDM4E (0.52) UHRF1ALDH1A1MEN1KMT2AMAPT
SCHEMBL169052 0.78 ESR1 (0.44) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13833860 0.73 KDM4E (0.48) UHRF1ALDH1A1MEN1KMT2AMAPT
SCHEMBL5874074 0.73 ESR1 (0.48) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL13076095 0.73 ESR1 (0.45) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL117485 0.73 ESR1 (0.48) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL14788072 0.72 MAPT (0.53) APPALDH1A1MEN1KMT2AMAPT
SCHEMBL14788110 0.70 KDM4E (0.56) UHRF1ALDH1A1MEN1KMT2AMAPT

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-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
WO-2012154888-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. (US) 2012-11-15 WO 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-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS HSPA5, PSMG3, VCP MMP13 3519/4885APP 822/4885MMP2 1897/4885

“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.