SCHEMBL10046155

SCHEMBL10046155

CCCCOc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])cc1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
ALDH1A1 P00352 8/20 0.46
HPGD P15428 2/20 0.46
TLR8 Q9NR97 1/20 0.46
CTSB P07858 1/20 0.45
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MAPT P10636 5/20 0.44
KDM4E B2RXH2 1/20 0.42
S1PR4 O95977 1/20 0.42
LMNA P02545 2/20 0.41

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
SCHEMBL689377 0.83 MAPT (0.46) RAB9AALDH1A1MAPK1KMT2AMEN1
SCHEMBL18439178 0.78 MAPT (0.55) RAB9AALDH1A1HPGDTLR8NPC1
SCHEMBL10207559 0.77 RAB9A (0.62) RAB9AALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL2336139 0.77 HTR7 (0.56) RAB9AALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL225789 0.76 GSTP1 (0.58) RAB9AALDH1A1NPC1SMN1; SMN2MAPK1
SCHEMBL13983281 0.75 MAPT (0.48) RAB9AALDH1A1HPGDNPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL514849 0.75 RAB9A (0.59) RAB9AALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL14038420 0.74 MAPT (0.55) RAB9AALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL12758744 0.74 MAPT (0.52) RAB9AALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL11188343 0.74 HTR7 (0.54) RAB9AALDH1A1NPC1SMN1; SMN2MAPK1

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
EP-2323982-B1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION UNIV GEORGETOWN (US) 2012-02-29 EP disclosed
US-20110152339-A1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION GEORGETOWN UNIVERSITY 2011-06-23 US disclosed
US-20100130579-A1 CANCER THERAPY GEORGETOWN UNIVERSITY (US) 2010-05-27 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-20110152339-A1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION RASSF5, RASSF2, MKI67 RAB9A 648/4885ALDH1A1 830/4885HPGD 2522/4885
US-20100130579-A1 CANCER THERAPY RASSF5, RASSF2, DNMT1 RAB9A 1659/4885ALDH1A1 227/4885HPGD 1691/4885

“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.