SCHEMBL6645000

SCHEMBL6645000

CC(C)(C)OC(=O)N(CCn1nccc1NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
AR P10275 7/20 0.35
F2 P00734 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GSTO1 P78417 1/20 0.33
POLB P06746 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
LMNA P02545 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
SCHEMBL6646621 0.88 PKM (0.38) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6644716 0.88 F2 (0.36) F2
SCHEMBL6645002 0.79 F2 (0.37) ALDH1A1F2SMN1; SMN2
SCHEMBL6647719 0.78 F2 (0.31) F2
SCHEMBL6645358 0.76 GPR27 (0.37) ALDH1A1F2SMN1; SMN2MAPTNPC1
SCHEMBL6643375 0.76 ALDH1A1 (0.41) ALDH1A1ARF2SMN1; SMN2MAPT
SCHEMBL6645976 0.75 TRPV4 (0.32) F2POLBITGA4
SCHEMBL6648470 0.73 F2 (0.36) F2SMN1; SMN2
SCHEMBL6643377 0.72 ALDH1A1 (0.43) ALDH1A1F2MAPTPOLBLMNA
SCHEMBL2379512 0.71 KCNJ1 (0.45) ALDH1A1SMN1; SMN2MAPTLMNA

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-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 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-20040133008-A1 Amide compounds APOB, APOL1, LDLR ALDH1A1 2174/4885AR 200/4885F2 1415/4885

“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.