SCHEMBL4968968

SCHEMBL4968968

CC(C)C1Oc2ccc([N+](=O)[O-])cc2NC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.48
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PGR P06401 1/20 0.39
CHRNB4 P30926 4/20 0.39
CHRNA3 P32297 4/20 0.39
ADRA2A P08913 1/20 0.39
PNMT P11086 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CAPN9 O14815 1/20 0.38

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
SCHEMBL4971157 0.90 KMT2A (0.53) BRD4ALDH1A1MEN1KMT2AGAA
SCHEMBL7472191 0.82 KMT2A (0.38) BRD4ALDH1A1MEN1KMT2AGAA
SCHEMBL3590372 0.82 PARP1 (0.54) ALDH1A1MEN1KMT2AGAACYP3A4
SCHEMBL2100537 0.82 PARP1 (0.54) ALDH1A1MEN1KMT2AGAACYP3A4
SCHEMBL2101407 0.82 PARP1 (0.54) ALDH1A1MEN1KMT2AGAACYP3A4
SCHEMBL4969089 0.79 BRD4 (0.52) BRD4ALDH1A1MEN1KMT2AGAA
SCHEMBL6997454 0.78 KMT2A (0.55) ALDH1A1MEN1KMT2AGAACYP3A4
SCHEMBL10358558 0.77 BRD4 (0.46) BRD4ALDH1A1MEN1KMT2AGAA
SCHEMBL4968199 0.77 HSD17B10 (0.52) BRD4ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL7472179 0.77 KMT2A (0.38) BRD4ALDH1A1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 BRD4 3303/4885ALDH1A1 142/4885MEN1 4288/4885

“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.