SCHEMBL3786249

SCHEMBL3786249

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C(=O)O)s1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.45
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
METAP1 P53582 1/20 0.43
TP53 P04637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
BRD9 Q9H8M2 1/20 0.41
TSHR P16473 1/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LCK P06239 1/20 0.39
MAPT P10636 2/20 0.38
AKT1 P31749 1/20 0.38

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
SCHEMBL3791523 0.91 SMN1; SMN2 (0.47) SMN1; SMN2POLBLMNARXFP1METAP1
SCHEMBL6184569 0.85 NPC1 (0.59) SMN1; SMN2LMNAMETAP1TP53ALDH1A1
SCHEMBL5224142 0.85 POLB (0.60) SMN1; SMN2POLBLMNARXFP1METAP1
SCHEMBL2733475 0.83 SMN1; SMN2 (0.42) SMN1; SMN2POLBLMNARXFP1METAP1
SCHEMBL6076256 0.82 SMN1; SMN2 (0.41) SMN1; SMN2POLBLMNARXFP1METAP1
SCHEMBL2880191 0.81 LMNA (0.54) SMN1; SMN2POLBLMNARXFP1METAP1
SCHEMBL4470283 0.80 NPC1 (0.42) SMN1; SMN2POLBLMNARXFP1METAP1
SCHEMBL2829176 0.80 POLB (0.56) POLBRXFP1TP53ALDH1A1HPGD
SCHEMBL5227369 0.79 NPC1 (0.64) SMN1; SMN2LMNAMETAP1TP53ALDH1A1
SCHEMBL5222427 0.79 HDAC1 (0.53) SMN1; SMN2RXFP1METAP1TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 US disclosed
US-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 US disclosed
US-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 US disclosed
EP-2220042-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2010-08-25 EP disclosed
WO-2009063054-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2009-05-22 WO disclosed
EP-2060565-A1 Novel bifunctional compounds which inhibit protein kinases and histone deacetylases 4SC AG (DE) 2009-05-20 EP disclosed
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 (3 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-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES HDAC1, HDAC11, MAP2K2 SMN1; SMN2 3494/4885POLB 1081/4885LMNA 1301/4885
US-20060089403-A1 Mono-acylated o-phenylendiamines derivatives HDAC1, HDAC10, HDAC11 SMN1; SMN2 4107/4885POLB 1025/4885LMNA 2940/4885
US-20040162317-A1 Mono-acylated o-phenylendiamines derivatives HDAC1, HDAC11, HDAC10 SMN1; SMN2 4060/4885POLB 1328/4885LMNA 2946/4885

“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.