SCHEMBL2073636

SCHEMBL2073636

Cc1[c][nH]c2cccc(F)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
HTR2A P28223 3/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PARP1 P09874 2/20 0.35
FEN1 P39748 1/20 0.35
ACHE P22303 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SLC6A4 P31645 2/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL1850720 0.79 GPR84 (0.41) GPR84HTR2APARP1ACHEMEN1
SCHEMBL6161416 0.79 FFAR1 (0.41) FFAR1GPR84HTR2AHTR2CHTR2B
SCHEMBL2074196 0.76 IMPDH2 (0.41) HTR2AHTR2CHTR2BMEN1MAPT
SCHEMBL4694663 0.76 GAA (0.39) GPR84PARP1FEN1MGAMGAA
SCHEMBL2070937 0.73 KIF11 (0.40)
SCHEMBL2072979 0.73 ABCG2 (0.42) HTR2AHTR2CHTR2BPARP1MEN1
SCHEMBL2073080 0.69 HTR2A (0.43) HTR2AHTR2CHTR2BMEN1MAPT
SCHEMBL12836459 0.66 FEN1 (0.52) FFAR1GPR84HTR2AHTR2CHTR2B
SCHEMBL546371 0.66 CYP1A2 (0.42) MEN1MAPTKMT2ASMN1; SMN2GAA
SCHEMBL12120939 0.65 GPR84 (0.58) FFAR1GPR84HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP disclosed
US-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 US disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
EP-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 EP disclosed
EP-1828171-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-09-05 EP disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 WO disclosed
WO-2006061638-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-06-15 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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 FFAR1 3808/4885GPR84 3376/4885HTR2A 1589/4885

“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.