SCHEMBL6489441

SCHEMBL6489441

CC(C)(C)OC(=O)N(CCc1cc([N+](=O)[O-])ccn1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.44
TRPM8 Q7Z2W7 1/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 7/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL6489438 0.84 POLB (0.51) F2POLBALDH1A1MEN1LMNA
SCHEMBL6487394 0.83 F2 (0.46) F2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30270586 0.77 CYP1A2 (0.52) TRPM8POLBALDH1A1SMN1; SMN2ITGA4
SCHEMBL12045056 0.75 KMT2A (0.45) POLBALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL6795253 0.75 ALDH1A1 (0.39) F2POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL6796112 0.75 MEN1 (0.41) F2AURKARPS6KB1MEN1KMT2A
SCHEMBL16943231 0.73 MAPT (0.43) F2TRPM8POLBALDH1A1SMN1; SMN2
SCHEMBL6645327 0.73 ALDH1A1 (0.43) F2POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL6793045 0.73 CCNC (0.41) TRPM8POLBALDH1A1MEN1LMNA
SCHEMBL6643377 0.73 ALDH1A1 (0.43) F2POLBALDH1A1LMNAKMT2A

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
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
US-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US disclosed
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-25 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 (3 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-20040058903-A1 Benzamide compounds as apo b secretion inhibitors APOB, APOL1, SCARB1 F2 1399/4885TRPM8 2469/4885POLB 1470/4885
US-20040133008-A1 Amide compounds APOB, APOL1, LDLR F2 1415/4885TRPM8 2380/4885POLB 1209/4885
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 F2 62/4885TRPM8 2281/4885POLB 1626/4885

“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.