SCHEMBL14904010

SCHEMBL14904010

COc1cc(-c2cnc3cc(CO)c(CO)cc3c2[N+](=O)[O-])cc(-c2cccc(-c3ccccc3)c2)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.40
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
BMPR1A P36894 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
ABCB1 P08183 4/20 0.37
ABCC1 P33527 1/20 0.36
PTPN1 P18031 1/20 0.36
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35
TUBB3 Q13509 2/20 0.35
TUBB2A Q13885 2/20 0.35
TUBB8 Q3ZCM7 2/20 0.35
TUBA3E Q6PEY2 2/20 0.35

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
SCHEMBL12074064 0.89 FYN (0.44) FYNBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL14904012 0.86 FYN (0.43) FYNPDCD1CD274BMPR1ATGFBR1
SCHEMBL14904004 0.85 FYN (0.43) FYNPDCD1CD274BMPR1ATGFBR1
SCHEMBL14904006 0.79 PKM (0.34) FYNABCB1ABCC1MAP3K11ALDH1A1
SCHEMBL14903983 0.76 PDGFRB (0.54) FYNBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL12074069 0.74 CTDSP1 (0.48) FYNBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL14904013 0.73 PTPN1 (0.39) FYNPDCD1CD274BMPR1ATGFBR1
SCHEMBL14904054 0.73 PDGFRB (0.55) FYNTGFBR1
SCHEMBL12074066 0.73 FYN (0.47) FYNBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL14903995 0.72 PDGFRB (0.52) FYNBMPR1ATGFBR1ACVRL1ACVR1

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-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 FYN 4551/4885PDCD1 4650/4885CD274 4594/4885

“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.