SCHEMBL6314253

SCHEMBL6314253

Cc1cccc(C)c1C(C)OC(=O)c1c(C)[nH]c2ccc(CCN3CCCC3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
PDGFRB P09619 3/20 0.40
FLT3 P36888 1/20 0.40
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FGFR1 P11362 2/20 0.38
PDGFRA P16234 2/20 0.38
FLT1 P17948 2/20 0.38
FGFR3 P22607 2/20 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
SCHEMBL6315307 0.99 LMNA (0.41) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL6316848 0.91 LMNA (0.41) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL6320492 0.90 LMNA (0.40) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL6314264 0.90 ALDH1A1 (0.43) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL6315324 0.89 KMT2A (0.42) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL6315004 0.88 ALDH1A1 (0.44) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL6322800 0.87 ALDH1A1 (0.43) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL6322095 0.85 SLC6A3 (0.44) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL6315397 0.85 ALDH1A1 (0.42) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL6317184 0.85 ALOX15 (0.45) LMNASMN1; SMN2ALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951848-B2 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC., (US) 2005-10-04 US claimed
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-04-07 US claimed
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2003-04-03 US claimed
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 LMNA 4828/4885SMN1; SMN2 4576/4885ALDH1A1 672/4885
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 LMNA 4803/4885SMN1; SMN2 4694/4885ALDH1A1 956/4885

“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.