SCHEMBL825002

SCHEMBL825002

O=[N+]([O-])/C=C/CCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.44
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
SIGMAR1 Q99720 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1319705 0.89 GPR52 (0.47) FBP1SMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL1319701 0.89 GPR52 (0.47) FBP1SMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL1231747 0.81 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL95321 0.79 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL95322 0.79 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15093965 0.77 MAOB (0.56) FBP1SMN1; SMN2MAPTMAPK1MEN1
SCHEMBL8627948 0.77 MAOB (0.56) FBP1SMN1; SMN2MAPTMAPK1MEN1
SCHEMBL3890228 0.77 MAOB (0.56) FBP1SMN1; SMN2MAPTMAPK1MEN1
SCHEMBL11418714 0.75 MAPT (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6200429 0.75 SIGMAR1 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20150328310-A1 METHODS AND COMPOSITIONS RELATING TO TREATMENT OF CANCER THE PENN STATE RESEARCH FOUNDATION 2015-11-19 US disclosed
US-20150328310-A1 METHODS AND COMPOSITIONS RELATING TO TREATMENT OF CANCER THE PENN STATE RESEARCH FOUNDATION 2015-11-19 US disclosed
WO-2014100565-A1 METHODS AND COMPOSITIONS RELATING TO TREATMENT OF CANCER THE PENN STATE RESEARCH FOUNDATION (US) 2014-06-26 WO disclosed
US-8143425-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-8143425-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 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-20150328310-A1 METHODS AND COMPOSITIONS RELATING TO TREATMENT OF CANCER KRAS, TP53, ERBB4 FBP1 2100/4885HDAC3 4070/4885HDAC4 448/4885

“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.