SCHEMBL5777724

SCHEMBL5777724

CC(C)(C)c1ccc(-c2ccc3c(c2)c(NC(=O)c2cccnc2)c(C(=O)O)n3Cc2cccc(Cl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.45
NPC1 O15118 3/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.40
PLA2G2A P14555 1/20 0.40
PPARG P37231 4/20 0.39
HDAC1 Q13547 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CCR9 P51686 1/20 0.38
P2RY14 Q15391 1/20 0.38

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
SCHEMBL6091652 0.90 SERPINE1 (0.54) SERPINE1PTGES2PLA2G2APPARGCCR9
SCHEMBL6092265 0.84 SERPINE1 (0.46) SERPINE1PTGES2PLA2G2APPARGP2RY14
SCHEMBL6093040 0.83 SERPINE1 (0.45) SERPINE1NPC1RAB9ASMN1; SMN2PTGES2
SCHEMBL6089976 0.81 PTGES (0.44) MEN1KMT2APTGES2PLA2G2APPARG
SCHEMBL6091169 0.80 ALDH1A1 (0.46) SERPINE1SMN1; SMN2KDM4EPLA2G2APPARG
SCHEMBL6092260 0.79 SERPINE1 (0.43) SERPINE1SMN1; SMN2PLA2G2APPARGCCR9
SCHEMBL6091490 0.76 TP53 (0.47) MEN1KMT2AKDM4EPLA2G2AALDH1A1
SCHEMBL5749488 0.75 PTGER4 (0.46) SERPINE1MEN1KMT2ASMN1; SMN2PLA2G2A
SCHEMBL6091451 0.75 SLC2A1 (0.44) PLA2G2APPARGHDAC1P2RY14
SCHEMBL6091492 0.75 THRB (0.43) SERPINE1MEN1KMT2ASMN1; SMN2PTGES2

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-20060160879-A1 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2006-07-20 US disclosed
EP-1646624-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2006-04-19 EP disclosed
WO-2005005415-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-01-20 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-20060160879-A1 Indoles useful in the treatment of inflammation IDO1, PTGS1, IDO2 SERPINE1 508/4885NPC1 2801/4885MEN1 3878/4885

“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.