SCHEMBL4480848

SCHEMBL4480848

CCOC(=O)CC(C)NC(=O)c1ccc(C(=O)N(N)c2ccccc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.40
LMNA P02545 1/20 0.40
GABRA5 P31644 5/20 0.39
GRM5 P41594 1/20 0.38
RAB9A P51151 4/20 0.37
ALDH1A1 P00352 4/20 0.37
ACACB O00763 1/20 0.37
NPC1 O15118 3/20 0.36
KDM4E B2RXH2 1/20 0.36
CTSA P10619 1/20 0.36
CNR2 P34972 1/20 0.36
TSHR P16473 2/20 0.35

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
SCHEMBL4474602 0.82 MAPT (0.41) P4HTMALDH1A1KDM4E
SCHEMBL4481743 0.80 TAS1R3 (0.46) P4HTMLMNAGRM5RAB9AALDH1A1
SCHEMBL4480835 0.79 HDAC1 (0.48) P4HTM
SCHEMBL4469287 0.76 EGLN1 (0.43) P4HTMRAB9AALDH1A1NPC1KDM4E
SCHEMBL8972504 0.76 RAB9A (0.57) LMNARAB9AALDH1A1ACACBNPC1
SCHEMBL4490213 0.75 L3MBTL1 (0.52) ALDH1A1
SCHEMBL4478208 0.71 GABRA5 (0.40) P4HTMGABRA5RAB9AALDH1A1NPC1
SCHEMBL4486555 0.70 EGLN1 (0.43) P4HTMRAB9AALDH1A1NPC1KDM4E
SCHEMBL16495421 0.69 HPGDS (0.51) LMNAGABRA5GRM5CTSA
SCHEMBL13210632 0.67 ALDH1A1 (0.55) P4HTMLMNARAB9AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071219-B2 Mono-acylated o-phenylendiamines derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US claimed
EP-1592667-A2 NEW MONO-ACYLATED O-PHENYLENDIAMINES DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-11-09 EP claimed
WO-2004069803-A2 MONO-ACYLATED O-PHENYLENDIAMINES DERIVATIVES AND THEIR USE AGAINST CANCER F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO claimed
US-20040162317-A1 Mono-acylated o-phenylendiamines derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-08-19 US claimed
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 692/4885LMNA 2940/4885GABRA5 2938/4885
US-20040162317-A1 Mono-acylated o-phenylendiamines derivatives HDAC1, HDAC11, HDAC10 P4HTM 1825/4885LMNA 2946/4885GABRA5 3823/4885

“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.