SCHEMBL2595550

SCHEMBL2595550

COc1cc(CCN[C@@H](C)c2ccc(Br)cc2)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR2A P28223 2/20 0.38
NQO2 P16083 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
EGFR P00533 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CASR P41180 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL27915325 1.00 CHEK1 (0.42) CHEK1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL16206582 0.77 CHEK1 (0.41) CHEK1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL16206575 0.76 CHEK1 (0.40) CHEK1ALDH1A1LMNAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL14965343 0.75 CHEK1 (0.39) CHEK1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2595478 0.74 SMN1; SMN2 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2NQO2
SCHEMBL9280470 0.74 TDP1 (0.44) ALDH1A1LMNAMAPTSMN1; SMN2CYP3A4
SCHEMBL2596022 0.74 ALDH1A1 (0.35) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL27897852 0.73 GRM8 (0.34) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL27897851 0.73 GRM8 (0.34) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL14965352 0.72 CYP1A2 (0.52) ALDH1A1LMNAMAPTSMN1; SMN2NQO2

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 105/4885ALDH1A1 3289/4885LMNA 3049/4885

“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.