SCHEMBL6315596

SCHEMBL6315596

CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(O)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
MAPT P10636 7/20 0.79
KDM4E B2RXH2 5/20 0.79
HPGD P15428 3/20 0.79
PKM P14618 2/20 0.79
HSD17B10 Q99714 2/20 0.79
CYP1A2 P05177 1/20 0.79
CYP3A4 P08684 1/20 0.79
CYP2D6 P10635 1/20 0.79
CYP2C9 P11712 1/20 0.79
ALOX15 P16050 1/20 0.79
CYP2C19 P33261 1/20 0.79
GAA P10253 4/20 0.72
GFER P55789 1/20 0.72
SMN1; SMN2 Q16637 4/20 0.70
LMNA P02545 4/20 0.70
HTT P42858 2/20 0.70
THRB P10828 2/20 0.70
MAPK1 P28482 2/20 0.66

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
SCHEMBL30657206 1.00 MEN1 (1.00) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL13576495 0.90 KMT2A (0.82) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL980968 0.87 MAPT (0.82) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL29059266 0.86 KMT2A (0.75) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL2885250 0.85 MEN1 (0.74) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL13309190 0.85 MEN1 (0.74) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL333454 0.85 MEN1 (0.74) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL3388184 0.84 GAA (1.00) MEN1KMT2AMAPTKDM4EHPGD
Mecarbinate SCHEMBL29380431 0.83 LMNA (0.72) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL13576515 0.83 HPGD (1.00) MEN1KMT2AMAPTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591215-A N-substituted indole compound and application thereof in treating tuberculosis 华东师范大学 2022-06-07 CN disclosed
US-6951848-B2 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC., (US) 2005-10-04 US disclosed
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
EP-1377549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2004-01-07 EP disclosed
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2003-04-03 US disclosed
WO-2002072549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-09-19 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 (2 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-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 MEN1 4058/4885KMT2A 4021/4885MAPT 4780/4885
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 MEN1 4333/4885KMT2A 3935/4885MAPT 4789/4885

“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.