SCHEMBL2357009

SCHEMBL2357009

CC(C)(C)OC(=O)C(N)c1ccc(N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 4/20 0.37
CYP1A2 P05177 3/20 0.37
MAOA P21397 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
APP P05067 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL9995953 0.86 MIF (0.40) LMNAKMT2AADRB2ADRB1ADRB3
SCHEMBL5414405 0.86 MIF (0.40) LMNAKMT2AADRB2ADRB1ADRB3
SCHEMBL1039225 0.86 ALOX5 (0.39) LMNAKMT2AALDH1A1L3MBTL1APP
SCHEMBL7448758 0.86 KMT2A (0.39) LMNAKMT2AALDH1A1HTTNPC1
SCHEMBL5414409 0.86 MIF (0.40) LMNAKMT2AADRB2ADRB1ADRB3
SCHEMBL1580054 0.84 LMNA (0.36) LMNAKMT2AALDH1A1HTTCYP3A4
SCHEMBL27928707 0.84 LMNA (0.36) LMNAKMT2ACYP3A4CYP1A2APP
SCHEMBL30065221 0.84 L3MBTL1 (0.45) LMNAKMT2AALDH1A1KDM4ECYP1A2
SCHEMBL305032 0.84 L3MBTL1 (0.45) LMNAKMT2AALDH1A1KDM4ECYP1A2
SCHEMBL2599350 0.84 LMNA (0.45) LMNAKMT2AALDH1A1HTTADRB2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358737-B1 RGD-CONTAINING PEPTIDOMIMETICS AND USES THEREOF STEBA BIOTECH S A (LU) 2017-03-01 EP disclosed
US-9119885-B2 RGD-containing peptidomimetics and uses thereof STEBA BIOTECH S.A. (LU) 2015-09-01 US disclosed
CN-102264756-B RGD-containing peptidomimetics and uses thereof STEBA BIOTECH N V 2014-08-06 CN disclosed
US-20140154181-A1 RGD-CONTAINING PEPTIDOMIMETICS AND USES THEREOF STEBA BIOTECH S.A. (LU) 2014-06-05 US disclosed
US-8673270-B2 RGD-containing peptidomimetics and uses thereof STEBA BIOTECH S.A. (LU) 2014-03-18 US disclosed
US-20110300147-A9 Inhibiting tumor cell invasion, metastasis and angiogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2011-12-08 US disclosed
CN-102264756-A Rgd-containing peptidomimetics and uses thereof 2011-11-30 CN disclosed
US-20110250144-A1 RGD-CONTAINING PEPTIDOMIMETICS AND USES THEREOF STEBA BIOTECH N.V. (NL) 2011-10-13 US disclosed
EP-2358737-A2 RGD-CONTAINING PEPTIDOMIMETICS AND USES THEREOF Steba Biotech N.V. (NL) 2011-08-24 EP disclosed
WO-2010046900-A2 RGD-CONTAINING PEPTIDOMIMETICS AND USES THEREOF STEBA BIOTECH N.V. (NL) 2010-04-29 WO disclosed
US-20090131481-A1 Transcription Factor Modulating Compounds and Methods of Use Thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
EP-2038274-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF Paratek Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
CN-101374856-A Inhibiting tumor cell invasion, metastasis and angiogenesis SCRIPPS RESEARCH INST (US) 2009-02-25 CN disclosed
WO-2009005551-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2009-01-08 WO disclosed
WO-2008130368-A2 TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF PARATEK PHARMACEUTICALS, INC. (US) 2008-10-30 WO disclosed
EP-1976861-A2 INHIBITING TUMOUR CELL INVASION, METASTASIS AND ANGIOGENESIS THROUGH TARGETTING LEGUMAIN The Scripps Research Institute (US) 2008-10-08 EP disclosed
WO-2007064759-A2 INHIBITING TUMOUR CELL INVASION, METASTASIS AND ANGIOGENESIS THROUGH TARGETTING LEGUMAIN THE SCRIPPS RESEARCH INSTITUTE (US) 2007-06-07 WO disclosed
EP-0921122-B1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2003-05-21 EP disclosed
US-6110967-A USEFUL AS AGENTS FOR PREVENTING AND TREATING METABOLIC OSTEOPATHY SUCH AS OSTEOPOROSIS, HYPERCALCEMIA AND BONE METASTASIS OF CANCER BECAUSE THEY SPECIFICALLY INHIBITS CATHEPSIN L AND ITS FAMILY ENZYMES TO INHIBIT BONE RESORPTION TAIHO PHARMACEUTICALS CO., LTD. (JP) 2000-08-29 US disclosed
EP-0921122-A1 NOVEL EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-06-09 EP 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 (4 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-20110250144-A1 RGD-CONTAINING PEPTIDOMIMETICS AND USES THEREOF GRPR, PROKR1, VIP LMNA 3703/4885KMT2A 4033/4885ALDH1A1 2304/4885
US-20090131481-A1 Transcription Factor Modulating Compounds and Methods of Use Thereof CREBBP, JUN, IRF3 LMNA 3970/4885KMT2A 929/4885ALDH1A1 3673/4885
US-20110300147-A9 Inhibiting tumor cell invasion, metastasis and angiogenesis MMP9, TIMP3, MMP3 LMNA 3944/4885KMT2A 3581/4885ALDH1A1 743/4885
US-20140154181-A1 RGD-CONTAINING PEPTIDOMIMETICS AND USES THEREOF GRPR, VIP, PROKR1 LMNA 3620/4885KMT2A 4102/4885ALDH1A1 2253/4885

“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.