SCHEMBL211403

SCHEMBL211403

O=C(O)c1ccc(N2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.56
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
FFAR4 Q5NUL3 1/20 0.52
PIK3CA P42336 1/20 0.51
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 1/20 0.50
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
MLYCD O95822 1/20 0.47
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
TRPV1 Q8NER1 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
DPP4 P27487 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
SERPINE1 P05121 1/20 0.43
CCR2 P41597 1/20 0.43

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
SCHEMBL211821 0.83 MAPT (0.50) ADRB1MAPTSMN1; SMN2FFAR4PIK3CA
SCHEMBL2734322 0.81 SMN1; SMN2 (0.79) MAPTSMN1; SMN2KDM4EALDH1A1MLYCD
SCHEMBL27747094 0.80 ADRB1 (0.62) ADRB1MAPTFFAR4KDM4EALDH1A1
SCHEMBL30883140 0.79 SERPINE1 (0.61) MAPTSMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL210892 0.79 PTGS1 (0.58) MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL18176129 0.76 ADRB1 (0.73) ADRB1MAPTFFAR4KDM4EALDH1A1
SCHEMBL24363082 0.75 ADRB1 (0.68) ADRB1MAPTFFAR4PIK3CAKDM4E
SCHEMBL12968838 0.75 ADRB1 (0.68) ADRB1MAPTSMN1; SMN2FFAR4KDM4E
SCHEMBL30883145 0.74 XPO1 (0.52) MAPTSMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL30883148 0.74 FFAR4 (0.52) MAPTSMN1; SMN2FFAR4PPARDPPARA

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
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 ADRB1 4612/4885MAPT 3612/4885SMN1; SMN2 3557/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 ADRB1 4609/4885MAPT 3905/4885SMN1; SMN2 2705/4885

“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.