SCHEMBL4535798

SCHEMBL4535798

CC(=O)NCc1ccccc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.52
KMT2A Q03164 1/20 0.51
FABP7 O15540 1/20 0.49
FABP3 P05413 1/20 0.49
FABP5 Q01469 1/20 0.49
MTNR1A P48039 3/20 0.49
CHRNB2 P17787 2/20 0.49
CHRNA4 P43681 2/20 0.49
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
SETDB1 Q15047 1/20 0.49
TPH1 P17752 1/20 0.48
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48

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
SCHEMBL5883325 0.85 KMT2A (0.55) LIPGKMT2AFABP7FABP3FABP5
SCHEMBL1567172 0.84 KMT2A (0.53) LIPGKMT2AFABP7FABP3FABP5
Hydrochloric Acid SCHEMBL5883683 0.84 KMT2A (0.53) LIPGKMT2AFABP7FABP3FABP5
SCHEMBL30259913 0.83 MTNR1A (0.55) LIPGKMT2AFABP7FABP3FABP5
SCHEMBL15831236 0.83 KMT2A (0.53) LIPGKMT2AFABP7FABP3FABP5
SCHEMBL14294078 0.83 MTNR1A (0.55) LIPGKMT2AFABP7FABP3FABP5
SCHEMBL14204990 0.82 SETDB1 (0.59) KMT2AMTNR1ASETDB1HDAC1HDAC6
SCHEMBL14394462 0.82 LIPG (0.46) LIPGKMT2AFABP7FABP3FABP5
SCHEMBL1405700 0.82 KMT2A (0.51) LIPGKMT2AFABP7FABP3FABP5
SCHEMBL14269014 0.81 LIPG (0.49) LIPGKMT2AFABP7FABP3FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9616064-B2 Rho kinase inhibitors and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-11 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20140179689-A1 NOVEL RHO KINASE INHIBITORS AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-06-26 US disclosed
WO-2012135697-A2 NOVEL RHO KINASE INHIBITORS AND METHODS OF USE H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE INC. (US) 2012-10-04 WO disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US 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-20140179689-A1 NOVEL RHO KINASE INHIBITORS AND METHODS OF USE ROCK1, ROCK2, RHOA LIPG 1509/4885KMT2A 1504/4885FABP7 2523/4885
US-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 LIPG 3116/4885KMT2A 58/4885FABP7 4402/4885

“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.