SCHEMBL5173458

SCHEMBL5173458

Nc1ccc(C(=O)NC2=COC=C(C3=CC=CCC3)O2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
PKM P14618 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.35
PTGS1 P23219 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
HDAC1 Q13547 2/20 0.32
KDM4E B2RXH2 2/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
IKZF3 Q9UKT9 1/20 0.32

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
SCHEMBL5171573 0.89 KMT2A (0.35) POLBMEN1KMT2ALMNANPC1
SCHEMBL5909366 0.82
SCHEMBL3227020 0.82
SCHEMBL5909441 0.81 SNCA (0.30)
SCHEMBL5175826 0.81 HDAC1 (0.39) MEN1KMT2AHDAC1KDM4EL3MBTL1
SCHEMBL5174472 0.81 NAMPT (0.33)
SCHEMBL5909450 0.81 KDM4E (0.31) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL1184758 0.77
SCHEMBL2473988 0.77 HDAC1 (0.41) CA12CA1CA9HDAC1
SCHEMBL3831010 0.75 HDAC1 (0.47) HDAC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737414-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS OF INFLAMMATORY AND NEUROPATIC PAIN AMGEN INC. (US) 2007-01-03 EP disclosed
WO-2005072681-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS OF INFLAMMATORY AND NEUROTIC PAIN. AMGEN INC. (US) 2005-08-11 WO disclosed
US-20050165028-A1 e.g. 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide; analgesics, neuropathic pain, inflammation, arthritis, rheumatic diseases, inflammatory bowel disorders, eye disorders, or bladder disorders, psoriasis, wounds, burns, allergic skin, herpes simplex AMGEN, INC. 2005-07-28 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-20050165028-A1 e.g. 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide; analgesics, neuropathic pain, inflammation, arthritis, rheumatic diseases, inflammatory bowel disorders, eye disorders, or bladder disorders, psoriasis, wounds, burns, allergic skin, herpes simplex BDKRB2, TRPV1, HRH2 POLB 1840/4885MEN1 4229/4885KMT2A 2621/4885

“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.