SCHEMBL2596015

SCHEMBL2596015

COc1cc(CCO)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NQO2 P16083 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
TTR P02766 1/20 0.40
CYP2D6 P10635 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL2589897 0.88 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MAPTLMNANPC1
SCHEMBL14965715 0.85 TAAR1 (0.54) ALDH1A1MAPTLMNACYP2D6L3MBTL1
SCHEMBL2595478 0.85 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTLMNANPC1
SCHEMBL19175434 0.82 LMNA (0.44) SMN1; SMN2ALDH1A1MAPTLMNANPC1
SCHEMBL9280470 0.82 TDP1 (0.44) SMN1; SMN2ALDH1A1MAPTLMNANPC1
SCHEMBL16117976 0.82 LMNA (0.47) SMN1; SMN2ALDH1A1MAPTLMNANPC1
SCHEMBL6573968 0.81 RAB9A (0.55) CHEK1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL19180992 0.81 RAB9A (0.46) SMN1; SMN2ALDH1A1MAPTLMNANPC1
SCHEMBL14971342 0.81 CTSD (0.39) SMN1; SMN2ALDH1A1MAPTLMNANPC1
SCHEMBL14965352 0.80 CYP1A2 (0.52) SMN1; SMN2ALDH1A1MAPTLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716287-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US disclosed
CN-103038221-A Chk-1 activity regulator SENTINEL ONCOLOGY LTD 2013-04-10 CN disclosed
EP-2569290-A2 PHARMACEUTICAL COMPOUNDS Sentinel Oncology Limited (GB) 2013-03-20 EP disclosed
US-20130065900-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2013-03-14 US disclosed
WO-2011141716-A2 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-11-17 WO 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-20130065900-A1 PHARMACEUTICAL COMPOUNDS CSNK1A1, FRK, CSNK1E CHEK1 105/4885SMN1; SMN2 3053/4885ALDH1A1 3289/4885

“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.