SCHEMBL13650104

SCHEMBL13650104

COc1c(Br)cc(/C=N/NC(=O)CN(CCCCOCCCCN(CC(=O)N/N=C/c2cc(Br)c(OC)c(Br)c2O)c2ccc(Cl)cc2)c2ccc(C)cc2)c(O)c1Br

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 6/20 0.45
▸ POLB P06746 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ OXTR P30559 3/20 0.36
▸ AVPR1A P37288 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ANO1 Q5XXA6 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HSD17B3 P37058 1/20 0.35
▸ HSD17B2 P37059 1/20 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
SCHEMBL13650094 0.93 SIRT1 (0.52) SIRT1POLBMEN1KMT2ATDP1
SCHEMBL13650093 0.88 SIRT1 (0.55) SIRT1POLBMEN1KMT2ANPC1
SCHEMBL13650095 0.85 MEN1 (0.43) SIRT1POLBMEN1KMT2ATDP1
SCHEMBL13650082 0.85 SIRT1 (0.50) SIRT1POLBMEN1KMT2ALMNA
SCHEMBL13650103 0.82 NCOA1 (0.52) POLBMEN1KMT2ATDP1NPC1
SCHEMBL13650085 0.77 CFTR (0.56) SIRT1POLBMEN1KMT2ANPC1
SCHEMBL13650098 0.76 CFTR (0.53) SIRT1POLBMEN1KMT2ANPC1
SCHEMBL13650092 0.76 SIRT1 (0.48) SIRT1POLBMEN1KMT2ANPC1
SCHEMBL14082171 0.74 CFTR (0.56) SIRT1MEN1KMT2AMAPTALDH1A1
SCHEMBL13650083 0.71 CFTR (0.49) SIRT1POLBMEN1KMT2ANPC1

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-20090253799-A1 DIVALENT HYDRAZIDE COMPOUND CONJUGATES FOR INHIBITING CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-10-08 — — 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-20090253799-A1 DIVALENT HYDRAZIDE COMPOUND CONJUGATES FOR INHIBITING CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, SLC26A3 SIRT1 3338/4885POLB 3817/4885MEN1 4189/4885

“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.

Send feedback