SCHEMBL1662034

SCHEMBL1662034

N[C@H](Cc1ccnc2ccccc12)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.53
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 2/20 0.52
BLM P54132 2/20 0.52
PMP22 Q01453 2/20 0.52
KMT2A Q03164 2/20 0.52
HIF1A Q16665 2/20 0.52
MPO P05164 1/20 0.52
TSHR P16473 1/20 0.52
CYP1A2 P05177 2/20 0.51
PKM P14618 2/20 0.50
ALPI P09923 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
ALDH1A1 P00352 2/20 0.48
RECQL P46063 2/20 0.48
NOS3 P29474 2/20 0.47

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
SCHEMBL503050 1.00 LOXL2 (0.53) LOXL2MAPTKDM4EMEN1LMNA
SCHEMBL29556980 1.00 LOXL2 (0.53) LOXL2MAPTKDM4EMEN1LMNA
SCHEMBL503049 1.00 LOXL2 (0.53) LOXL2MAPTKDM4EMEN1LMNA
SCHEMBL15921852 0.89 KDM4E (0.48) MAPTKDM4EMEN1LMNABLM
SCHEMBL15921853 0.89 KDM4E (0.48) MAPTKDM4EMEN1LMNABLM
SCHEMBL25357666 0.89 KDM4E (0.48) MAPTKDM4EMEN1LMNABLM
SCHEMBL14945005 0.86 LOXL2 (0.51) LOXL2MAPTKDM4EMEN1LMNA
SCHEMBL22190011 0.86 GRIN3B (0.46) LOXL2MAPTKDM4EMEN1LMNA
SCHEMBL22190009 0.86 GRIN3B (0.46) LOXL2MAPTKDM4EMEN1LMNA
SCHEMBL6495560 0.82 LOXL2 (0.47) LOXL2MAPTKDM4ECYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3178836-A1 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2017-06-14 EP claimed
US-20150368294-A1 GADD45BETA TARGETING AGENTS IP2IPO INNOVATIONS LIMITED (GB) 2015-12-24 US claimed
US-20120277164-A1 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2012-11-01 US claimed
EP-2491051-A2 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2012-08-29 EP claimed
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 WO claimed
US-10697019-B2 Method of diagnosis and prognosis IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2020-06-30 US disclosed
CN-102741269-B Gadd45 β targeting agents 帝国创新有限公司 2017-08-29 CN disclosed
US-20170240592-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2017-08-24 US disclosed
EP-3180350-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY Imperial Innovations Ltd (GB) 2017-06-21 EP disclosed
EP-3178836-A1 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2017-06-14 EP disclosed
EP-2702167-B1 METHODS OF DIAGNOSIS AND PROGNOSIS OF MULTIPLE MYELOMA, BY MEASURING GADD45BETA EXPRESSION IMP INNOVATIONS LTD (GB) 2016-12-28 EP disclosed
US-9518083-B2 Gadd45beta targeting agents IMPERIAL INNOVATIONS LIMITED (GB) 2016-12-13 US disclosed
US-20150368294-A1 GADD45BETA TARGETING AGENTS IP2IPO INNOVATIONS LIMITED (GB) 2015-12-24 US disclosed
US-8993717-B2 Gadd45beta targeting agents IMPERIAL INNOVATIONS LIMITED (GB) 2015-03-31 US disclosed
US-20140128330-A1 METHOD OF DIAGNOSIS AND PROGNOSIS IMPERIAL INNOVATIONS LIMITED (GB) 2014-05-08 US disclosed
EP-2702167-A2 METHOD OF DIAGNOSIS AND PROGNOSIS Imperial Innovations Limited (GB) 2014-03-05 EP disclosed
WO-2012146940-A2 METHOD OF DIAGNOSIS AND PROGNOSIS IMPERIAL INNOVATIONS LIMITED (GB) 2012-11-01 WO disclosed
US-20120277164-A1 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2012-11-01 US disclosed
EP-2491051-A2 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2012-08-29 EP disclosed
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 WO 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-20170240592-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY MCL1, DDIT3, MAP2K7 LOXL2 3334/4885MAPT 4016/4885KDM4E 2070/4885
US-20150368294-A1 GADD45BETA TARGETING AGENTS DDB1, CCL2, DDIT3 LOXL2 2523/4885MAPT 3248/4885KDM4E 4430/4885
US-20120277164-A1 GADD45BETA TARGETING AGENTS DDB1, CCL2, DDIT3 LOXL2 2523/4885MAPT 3248/4885KDM4E 4430/4885

“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.