SCHEMBL4483140

SCHEMBL4483140

CC(C)N(CCNC(=O)c1ccc(C(=O)O)cn1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 5/20 0.47
P4HA1 P13674 1/20 0.47
MIF P14174 1/20 0.47
HCAR3 P49019 8/20 0.44
HCAR2 Q8TDS4 2/20 0.44
ALDH1A1 P00352 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
MAOB P27338 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4481411 0.87 MAPK1 (0.55) P4HTMALDH1A1KDM5BMAOBKDM4E
SCHEMBL841762 0.82 GRM5 (0.54) P4HTMP4HA1MIFHCAR3HCAR2
SCHEMBL22269020 0.80 HCAR3 (0.59) P4HTMP4HA1MIFHCAR3HCAR2
SCHEMBL6385520 0.80 MEN1 (0.48) P4HTM
SCHEMBL841296 0.78 TSHR (0.59) P4HTMP4HA1MIFHCAR3ALDH1A1
SCHEMBL2428778 0.78 HCAR3 (0.63) P4HTMP4HA1MIFHCAR3ALDH1A1
SCHEMBL1783228 0.75 P4HTM (0.53) P4HTMP4HA1MIFHCAR3ALDH1A1
SCHEMBL28562969 0.74 ALDH1A1 (0.56) ALDH1A1KDM5B
SCHEMBL1017155 0.74 P4HTM (0.59) P4HTMP4HA1MIFHCAR3HCAR2
SCHEMBL840824 0.74 P4HTM (0.51) P4HTMP4HA1MIFHCAR3ALDH1A1

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-7501451-B2 Mono-acylated o-phenylendiamines derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
US-7071219-B2 Mono-acylated o-phenylendiamines derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
US-20060089403-A1 Mono-acylated o-phenylendiamines derivatives FERTIG GEORG 2006-04-27 US disclosed
EP-1592667-A2 NEW MONO-ACYLATED O-PHENYLENDIAMINES DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-11-09 EP disclosed
WO-2004069803-A2 MONO-ACYLATED O-PHENYLENDIAMINES DERIVATIVES AND THEIR USE AGAINST CANCER F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO disclosed
US-20040162317-A1 Mono-acylated o-phenylendiamines derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-08-19 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-20060089403-A1 Mono-acylated o-phenylendiamines derivatives HDAC1, HDAC10, HDAC11 P4HTM 692/4885P4HA1 232/4885MIF 4459/4885
US-20040162317-A1 Mono-acylated o-phenylendiamines derivatives HDAC1, HDAC11, HDAC10 P4HTM 1825/4885P4HA1 343/4885MIF 4715/4885

“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.