SCHEMBL19764460

SCHEMBL19764460

Cc1cc(C(NC(=O)CN(C)c2ccccc2)c2cccc([N+](=O)[O-])c2)c(O)c2ncccc12

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 14/20 0.74
▸ ADAMTS4 O75173 1/20 0.60
▸ HSP90AA1 P07900 2/20 0.53
▸ KMT2A Q03164 4/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ MEN1 O00255 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ NPC1 O15118 1/20 0.51

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
SCHEMBL1817784 0.91 ADAMTS5 (0.80) ADAMTS5ADAMTS4HSP90AA1RAB9AKDM4E
SCHEMBL1817388 0.85 ADAMTS5 (1.00) ADAMTS5ADAMTS4
SCHEMBL1813127 0.80 ADAMTS5 (1.00) ADAMTS5ADAMTS4HSP90AA1RAB9AKDM4E
SCHEMBL1814054 0.79 ADAMTS5 (1.00) ADAMTS5HSP90AA1RAB9AKDM4EALOX12
SCHEMBL24634687 0.78 RAB9A (0.60) ADAMTS5HSP90AA1KMT2ARAB9AMEN1
SCHEMBL29855994 0.78 RAB9A (0.60) ADAMTS5HSP90AA1KMT2ARAB9AMEN1
SCHEMBL1814188 0.77 ADAMTS5 (1.00) ADAMTS5HSP90AA1RAB9AKDM4EL3MBTL1
SCHEMBL1814022 0.75 ADAMTS5 (1.00) ADAMTS5ADAMTS4
SCHEMBL28783396 0.75 ADAMTS5 (0.83) ADAMTS5HSP90AA1RAB9AKDM4EL3MBTL1
SCHEMBL1814553 0.75 ADAMTS5 (1.00) ADAMTS5ADAMTS4

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-20180009903-A1 MODULATING ADIPOSE TISSUE AND ADIPOGENESIS KATHOLIEKE UNIV LEUVEN KU LEUVEN RESEARCH & DEVELOPMENT (BE) 2018-01-11 — — 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-20180009903-A1 MODULATING ADIPOSE TISSUE AND ADIPOGENESIS ADAMTS5, ADAMTS1, ADAMTS7 ADAMTS5 1/4885ADAMTS4 4/4885HSP90AA1 647/4885

“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.

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