SCHEMBL4082468

SCHEMBL4082468

NC(=O)Nc1cccc(Oc2ccc(Cl)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 2/20 0.55
MITF O75030 1/20 0.55
POLB P06746 1/20 0.55
HTT P42858 1/20 0.55
NPC1 O15118 1/20 0.54
CDK8 P49336 4/20 0.53
F13A1 P00488 1/20 0.51
TGM2 P21980 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
PLAU P00749 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
FAAH O00519 1/20 0.47
MAPT P10636 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL4089354 0.87 MITF (0.65) ALDH1A1MAPK1MITFPOLBHTT
SCHEMBL4092538 0.85 CDK8 (0.58) ALDH1A1MAPK1MITFPOLBHTT
SCHEMBL14384401 0.85 MTNR1A (0.62) ALDH1A1MAPK1MITFPOLBHTT
SCHEMBL11637623 0.84 POLB (0.62) ALDH1A1MAPK1MITFPOLBHTT
SCHEMBL4092732 0.84 NPC1 (0.78) ALDH1A1HTTNPC1CA12CA1
SCHEMBL11644482 0.82 XIAP (0.60) ALDH1A1MAPK1MITFPOLBHTT
SCHEMBL6049657 0.82 RAF1 (0.61) ALDH1A1MAPK1MITFPOLBHTT
SCHEMBL3673613 0.81 KMT2A (0.64) ALDH1A1HTTNPC1MAPTMEN1
SCHEMBL22732028 0.81 TGM2 (0.62) ALDH1A1MAPK1MITFPOLBHTT
SCHEMBL22534419 0.81 ALDH1A1 (0.54) ALDH1A1MAPK1MITFPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203585-A1 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. 2009-08-13 US disclosed
US-20090203585-A1 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. 2009-08-13 US disclosed
WO-2007130743-A2 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. (US) 2007-11-15 WO disclosed
WO-2007130743-A2 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. (US) 2007-11-15 WO 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-20090203585-A1 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS CAPRIN1, NISCH, RPIA ALDH1A1 2024/4885MAPK1 3389/4885MITF 498/4885

“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.