SCHEMBL6091187

SCHEMBL6091187

O=C(O)c1c(-c2ccccc2)c2cc(-c3cccnc3)ccc2n1CCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.44
TBXAS1 P24557 2/20 0.42
NR4A2 P43354 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
MAPK8 P45983 1/20 0.41
GSK3B P49841 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6090219 0.88 KMT2A (0.54) TBXAS1NR4A2MAPK8ALDH1A1LMNA
SCHEMBL5739485 0.81 ACLY (0.53) SERPINE1MAPK8EDNRBEDNRALMNA
SCHEMBL6089927 0.80 EDNRA (0.66) EDNRBEDNRA
SCHEMBL6090931 0.69 KMT2A (0.58) MAPK8ALDH1A1LMNACYP1A2CYP2C19
SCHEMBL4709825 0.68 MAPK8 (0.79) MAPK8
SCHEMBL35988 0.68 CYP2A6 (0.61) CYP11B1CYP11B2ALDH1A1LMNACYP1A2
SCHEMBL6093339 0.67 SERPINE1 (0.61) SERPINE1EDNRBEDNRAALDH1A1USP2
SCHEMBL15215042 0.66 ALDH1A1 (0.58) GSK3BCYP11B1CYP11B2ALDH1A1
SCHEMBL4980145 0.65 SERPINE1 (0.81) SERPINE1MAPK8EDNRBEDNRACYP3A4
SCHEMBL6092353 0.65 SERPINE1 (0.56) SERPINE1TBXAS1EDNRBEDNRAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160879-A1 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2006-07-20 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-20060160879-A1 Indoles useful in the treatment of inflammation IDO1, PTGS1, IDO2 SERPINE1 508/4885TBXAS1 147/4885NR4A2 1637/4885

“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.