SCHEMBL13650103

SCHEMBL13650103

Cc1ccc(N(CCCCOCCCCN(CC(=O)N/N=C/c2ccc(O)cc2O)c2ccc(Cl)cc2)CC(=O)N/N=C/c2ccc(O)cc2O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCOA1 Q15788 1/20 0.52
▸ NCOA3 Q9Y6Q9 1/20 0.52
▸ POLB P06746 3/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ KDM4E B2RXH2 6/20 0.44
▸ MAPT P10636 4/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HSD17B3 P37058 1/20 0.44
▸ HSD17B2 P37059 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ OXTR P30559 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ AVPR1A P37288 1/20 0.42

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 0.85 SIRT1 (0.52) POLBTDP1MAPTNPC1MEN1
SCHEMBL13650095 0.82 MEN1 (0.43) POLBTDP1KDM4EMAPTNPC1
SCHEMBL13650101 0.82 HIF1A (0.49) POLBTDP1KDM4EMAPTNPC1
SCHEMBL13650104 0.82 SIRT1 (0.45) POLBTDP1MAPTNPC1MEN1
SCHEMBL13650093 0.80 SIRT1 (0.55) POLBMAPTNPC1MEN1KMT2A
SCHEMBL12793806 0.69 MEN1 (0.69) NCOA1NCOA3POLBTDP1KDM4E
SCHEMBL10049701 0.68 SIRT1 (0.72) POLBKDM4ENPC1MEN1KMT2A
SCHEMBL6751415 0.68 SIRT1 (0.72) POLBKDM4ENPC1MEN1KMT2A
SCHEMBL6751418 0.68 SIRT1 (0.72) POLBKDM4ENPC1MEN1KMT2A
SCHEMBL12746377 0.68 SIRT1 (0.72) NCOA1NCOA3POLBTDP1KDM4E

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 NCOA1 4181/4885NCOA3 4328/4885POLB 3817/4885

“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