SCHEMBL4483167

SCHEMBL4483167

CCOCCCNC(=O)c1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.60
HDAC3 O15379 14/20 0.57
HDAC1 Q13547 13/20 0.57
KMT2A Q03164 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HDAC2 Q92769 3/20 0.57
NCOR2 Q9Y618 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
NAMPT P43490 1/20 0.55
HDAC4 P56524 2/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55

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
SCHEMBL6076439 0.88 HDAC1 (0.60) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL4473775 0.86 HDAC3 (0.64) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL6765980 0.85 HPGD (0.49) HPGDNPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL26646791 0.81 HPGD (0.73) HPGDNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4492590 0.81 HDAC3 (0.57) HPGDHDAC3HDAC1HDAC2NCOR2
SCHEMBL6382383 0.80 SMN1; SMN2 (0.51) SMN1; SMN2HDAC3HDAC1KMT2AHDAC2
SCHEMBL6076288 0.80 HDAC1 (0.62) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL4493067 0.80 HDAC3 (0.57) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL6384325 0.80 HDAC1 (0.49) SMN1; SMN2HDAC3HDAC1KMT2AHDAC2
SCHEMBL5183187 0.79 HPGD (0.74) HPGDNPC1RAB9ASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HPGD 443/4885NPC1 1142/4885RAB9A 2631/4885
US-20040162317-A1 Mono-acylated o-phenylendiamines derivatives HDAC1, HDAC11, HDAC10 HPGD 1098/4885NPC1 1085/4885RAB9A 2081/4885

“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.