SCHEMBL6569873

SCHEMBL6569873

O=C(NO)c1ccc(C(=O)NCCC2=CCCCC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.78
NPC1 O15118 9/20 0.78
ALDH1A1 P00352 9/20 0.78
SMN1; SMN2 Q16637 6/20 0.78
NFKB1 P19838 1/20 0.78
NFKB2 Q00653 1/20 0.78
RELA Q04206 1/20 0.78
MAPT P10636 3/20 0.70
LMNA P02545 2/20 0.65
MAPK1 P28482 2/20 0.62
POLB P06746 1/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
GAA P10253 1/20 0.61
KMT2A Q03164 1/20 0.61
KDM4E B2RXH2 2/20 0.59
HTT P42858 1/20 0.59
HPGD P15428 1/20 0.59

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
SCHEMBL8167648 0.85 RAB9A (0.72) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL31612285 0.82 RAB9A (0.68) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL3635519 0.82 RAB9A (0.67) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL13210626 0.80 RAB9A (0.69) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL18719840 0.80 RAB9A (0.74) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL15695713 0.79 ALDH1A1 (0.67) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL2665808 0.78 RAB9A (0.62) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL7783342 0.78 EPHX1 (0.73) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL10144689 0.78 RAB9A (0.73) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1
SCHEMBL24363257 0.77 RAB9A (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214862-A1 Aromatic dicarboxylic acid derivatives LESER-REIFF ULRIKE 2004-10-28 US claimed
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HOFFMANN-LA ROCHE INC. 2003-01-16 US claimed
US-20040214862-A1 Aromatic dicarboxylic acid derivatives LESER-REIFF ULRIKE 2004-10-28 US disclosed
US-6784173-B2 ANTIPROLIFERATIVE AGENTS; ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2004-08-31 US disclosed
EP-1401824-A2 AROMATIC HYDROXAMIC ACID DERIVATIVES USEFUL AS HDAC INHIBITORS F. Hoffman-la Roche AG (CH) 2004-03-31 EP disclosed
WO-2003011851-A2 AROMATIC HYDROXAMIC ACID DERIVATIVES USEFUL AS HDAC INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2003-02-13 WO disclosed
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HOFFMANN-LA ROCHE INC. 2003-01-16 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 (2 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-20040214862-A1 Aromatic dicarboxylic acid derivatives HDAC1, HDAC2, HDAC11 RAB9A 3059/4885NPC1 2721/4885ALDH1A1 71/4885
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HDAC1, HDAC2, HDAC11 RAB9A 3059/4885NPC1 2721/4885ALDH1A1 71/4885

“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.