SCHEMBL6328183

SCHEMBL6328183

CN(C)CCOc1cccc(-c2noc(CCC(=O)O)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.58
MITF O75030 1/20 0.55
TP53 P04637 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
LMNA P02545 3/20 0.55
ATM Q13315 1/20 0.55
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.49
HTT P42858 2/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL6328594 0.88 MITF (0.61) FFAR1MITFTP53NCOA3LMNA
SCHEMBL6326143 0.87 MITF (0.73) FFAR1MITFTP53NCOA3LMNA
SCHEMBL6326480 0.86 MITF (0.74) FFAR1MITFTP53NCOA3LMNA
SCHEMBL6324681 0.83 FFAR1 (0.75) FFAR1MITFTP53NCOA3LMNA
SCHEMBL6326329 0.81 FFAR1 (0.60) FFAR1MITFTP53NCOA3LMNA
SCHEMBL6328269 0.81 FFAR1 (0.61) FFAR1MITFTP53NCOA3LMNA
SCHEMBL6324746 0.79 TSHR (0.55) FFAR1MITFTP53NCOA3LMNA
SCHEMBL6467050 0.78 MAPT (0.55) FFAR1MITFTP53NCOA3LMNA
SCHEMBL7962298 0.78 NPC1 (0.64) TP53LMNAALDH1A1PKMMAPT
SCHEMBL6324430 0.77 MAPK1 (0.73) FFAR1LMNAATMALDH1A1TSHR

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
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
CN-1568187-A 2H-2,3-dinitrogen phenodiazine-1-ketone and using method thereof ICOS CORP (US) 2005-01-19 CN disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 FFAR1 2536/4885MITF 1978/4885TP53 81/4885

“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.