SCHEMBL6091749

SCHEMBL6091749

CCOC(=O)c1c(I)c2ccc(-c3ccc(OCc4ccccc4)cc3)cc2n1Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
MAOB P27338 3/20 0.46
MAOA P21397 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
FFAR1 O14842 1/20 0.44
AR P10275 1/20 0.43
ADAMTS4 O75173 1/20 0.43
MMP13 P45452 1/20 0.43
PLA2G2A P14555 1/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
ELANE P08246 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 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
SCHEMBL6092119 0.84 MAPT (0.42) MAPTALDH1A1RAB9AMAOBMAOA
SCHEMBL6092644 0.80 MAPT (0.49) MAPTALDH1A1RAB9AMAOBMAOA
SCHEMBL6090004 0.76 CCR8 (0.43) MEN1KMT2A
SCHEMBL6092403 0.75 MAPT (0.41) MAPTALDH1A1RAB9AMAOBMAOA
SCHEMBL2808197 0.75 PLA2G2A (0.46) MAPTLMNAFFAR1PLA2G2A
SCHEMBL4948035 0.73 MAPT (0.52) MAPTPLA2G2AMAPK1ELANE
SCHEMBL19159661 0.73 TSHR (0.53) MAPTALDH1A1LMNAMAPK1POLB
SCHEMBL5737478 0.72 MAPT (0.44) MAPTALDH1A1RAB9AMAOBMAOA
SCHEMBL2808138 0.71 SERPINE1 (0.47) MAPTKMT2ALMNAPLA2G2A
SCHEMBL2808044 0.71 ALOX5AP (0.46) MEN1KMT2APLA2G2A

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 MAPT 3503/4885ALDH1A1 526/4885RAB9A 3093/4885

“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.