SCHEMBL1164841

SCHEMBL1164841

C#Cc1ccc(CN(CC)CC)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
APEX1 P27695 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PYCR1 P32322 1/20 0.41
MPO P05164 1/20 0.38
PRKCI P41743 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
SCHEMBL15491228 0.80 FFAR1 (0.38) PYCR1FFAR1FFAR4
SCHEMBL27864802 0.78 MAP2K1 (0.33) PYCR1FFAR1FFAR4HRH3
SCHEMBL578651 0.77 KDM4E (0.41) POLBKDM4EMEN1ALDH1A1MAPT
SCHEMBL15545696 0.74 KDM4E (0.47) POLBKDM4EMEN1ALDH1A1MAPT
SCHEMBL16399324 0.74 PYCR1 (0.55) POLBKDM4EMEN1ALDH1A1MAPT
SCHEMBL24837945 0.73 LOXL2 (0.38) PYCR1FFAR1FFAR4
SCHEMBL1164992 0.73 FFAR1 (0.38) PYCR1FFAR1FFAR4
SCHEMBL16286817 0.72 PARP1 (0.36) MCL1PYCR1KCNH2FFAR1
SCHEMBL26016355 0.72 NR3C1 (0.35) PYCR1FFAR1FFAR4
SCHEMBL11229826 0.72 GABRA1 (0.33) PYCR1FFAR1FFAR4

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
EP-2451790-A1 HISTONE DEACETYLASE INHIBITORS Anthem Biosciences Private Limited (IN) 2012-05-16 EP disclosed
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 US disclosed
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 US disclosed
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 US disclosed
WO-2011021209-A1 HISTONE DEACETYLASE INHIBITORS PORTSMOUTH TECHNOLOGIES LLC (US) 2011-02-24 WO disclosed
WO-2011021209-A1 HISTONE DEACETYLASE INHIBITORS PORTSMOUTH TECHNOLOGIES LLC (US) 2011-02-24 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-20120101099-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC11 POLB 421/4885KDM4E 105/4885MEN1 3069/4885

“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.