SCHEMBL11927720

SCHEMBL11927720

CNc1cc(C)cc(NC(=O)c2cccc(C(C)=O)c2)c1SCCN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CREBBP Q92793 4/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
GFER P55789 1/20 0.41
KIF11 P52732 2/20 0.40
HDAC2 Q92769 2/20 0.40
RAB9A P51151 2/20 0.39
KCNK3 O14649 1/20 0.39
KCNH2 Q12809 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
HDAC3 O15379 1/20 0.39
NCOR1 O75376 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL11927730 0.90 KIF11 (0.45) KMT2AMEN1CREBBPHDAC1HDAC8
SCHEMBL11927728 0.88 NR1H4 (0.44) KMT2AMEN1CREBBPHDAC1HDAC8
SCHEMBL85866 0.88 NR1H4 (0.44) KMT2AMEN1CREBBPHDAC1HDAC8
SCHEMBL15176889 0.77 KIF11 (0.46) KMT2AMEN1CREBBPHDAC1HDAC8
SCHEMBL11927722 0.77 NR1H4 (0.42) KMT2ACREBBPHDAC1HDAC8HDAC6
SCHEMBL85827 0.76 KIF11 (0.41) KMT2AMEN1HDAC8HDAC6KIF11
SCHEMBL9927400 0.73 KMT2A (0.61) KMT2AMEN1CREBBPHDAC1HDAC8
SCHEMBL85722 0.71 PTGS1 (0.44) KMT2AMEN1HDAC1HDAC8HDAC6
SCHEMBL25533257 0.71 PRKCI (0.60) KMT2AMEN1CREBBPHDAC1HDAC8
SCHEMBL10198572 0.70 PTGS1 (0.41) KMT2AMEN1HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9241917-B2 Facially amphiphilic polymers and oligomers and uses thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-01-26 US disclosed
US-8236800-B2 antimicrobial agents and antidote for hemorrhagic complications associated with heparin therapy; peptide having optimal sites of polar and nonpolar substituents that confer amphiphilic properties; leucine and aminobenzoic acid derivative; isophthalic acid and diaminobenzene, 3-tert-butyl-6-alkylthio cmpd THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-08-07 US disclosed
US-20080176807-A1 Facially amphiphilic polymers and oligomers and uses thereof MIDCAP FINANCIAL SBIC, LP, AS ADMINISTRATIVE AGENT 2008-07-24 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 (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-20080176807-A1 Facially amphiphilic polymers and oligomers and uses thereof TLR3, ABHD16A, ANTXR2 THRB 4303/4885KMT2A 4547/4885MEN1 1960/4885

“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.