SCHEMBL1123900

SCHEMBL1123900

O=C(O)C(=NNc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
EPHX1 P07099 1/20 0.44
TSHR P16473 1/20 0.44
EPHX2 P34913 1/20 0.44
CDK9 P50750 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MAPT P10636 6/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
CYP1A2 P05177 1/20 0.44
GAA P10253 8/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL7490754 0.88 MAPT (0.54) GFERSMN1; SMN2TSHRMAPTNPC1
SCHEMBL7490755 0.88 MAPT (0.54) GFERSMN1; SMN2TSHRMAPTNPC1
Hydrochloric Acid SCHEMBL27434077 0.88 GFER (0.45) GFERSMN1; SMN2TP53EPHX1TSHR
SCHEMBL7526146 0.85 GFER (0.43) GFERSMN1; SMN2TP53EPHX1TSHR
SCHEMBL7526135 0.85 GFER (0.43) GFERSMN1; SMN2TP53EPHX1TSHR
SCHEMBL1123684 0.84 GFER (0.49) GFERSMN1; SMN2TP53EPHX1TSHR
SCHEMBL519257 0.83 MAPT (0.56) GFERSMN1; SMN2TSHRMAPTNPC1
SCHEMBL19384329 0.81 MAPT (0.54) MAPTNPC1RAB9AMAPK1L3MBTL1
SCHEMBL6710803 0.81 MAPT (0.50) GFERSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL21816341 0.78 GAA (0.47) GFERSMN1; SMN2TP53EPHX1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309552-B2 Immunomodulating heterocyclic compounds MEDIGENE AG (DE) 2012-11-13 US disclosed
US-8309552-B2 Immunomodulating heterocyclic compounds MEDIGENE AG (DE) 2012-11-13 US disclosed
US-8309552-B2 Immunomodulating heterocyclic compounds MEDIGENE AG (DE) 2012-11-13 US disclosed
EP-2284172-A1 Immunomodulating heterocyclic compounds MediGene Ltd. (GB) 2011-02-16 EP disclosed
EP-2284172-A1 Immunomodulating heterocyclic compounds MediGene Ltd. (GB) 2011-02-16 EP disclosed
EP-1603917-B1 IMMUNOMODULATING HETEROCYCLIC COMPOUNDS MEDIGENE LTD (GB) 2010-11-24 EP disclosed
EP-1603917-B1 IMMUNOMODULATING HETEROCYCLIC COMPOUNDS MEDIGENE LTD (GB) 2010-11-24 EP disclosed
US-20090312334-A1 Immunomodulating Heterocyclic Compounds MEDIGENE LIMITED (GB) 2009-12-17 US disclosed
US-20090312334-A1 Immunomodulating Heterocyclic Compounds MEDIGENE LIMITED (GB) 2009-12-17 US disclosed
US-20090312334-A1 Immunomodulating Heterocyclic Compounds MEDIGENE LIMITED (GB) 2009-12-17 US disclosed
US-5910495-A TREATING RAPID GASTRIC EMPTYING IN NON-INSULIN DEPENDENT DIABETIC CONDITIONS; AGONIST ACTIVITY FOR CHOLECYSTOKININ-A RECEPTOR GLAXO WELLCOME INC. (US) 1999-06-08 US disclosed
US-5739129-A AGONIST ACTIVITY GLAXO WELLCOME INC. (US) 1998-04-14 US disclosed
CN-1176646-A CCK or gastrin modulating 5 -heterocyclic-1, 5-benzodiazepines GLAXO WELLCOME INC (US) 1998-03-18 CN disclosed
US-5646140-A CHOLECYSTOKININ ANTAGONIST; APETITE CONTROL GLAXO WELLCOME INC. (US) 1997-07-08 US disclosed
EP-0756602-A1 CCK OR GASTRIN MODULATING 5-HETEROCYCLIC-1,5-BENZODIAZEPINES GLAXO WELLCOME INC. (US) 1997-02-05 EP disclosed
CN-1120843-A Derivatives of class 1, 5-benzodiazepine * having CCK antagonistic or agonistic activity GLAXO INC (US) 1996-04-17 CN disclosed
EP-0694039-A1 1,5-BENZODIAZEPINE DERIVATIVES HAVING CCK ANTAGONISTIC OR AGONISTIC ACTIVITY GLAXO WELLCOME INC. (US) 1996-01-31 EP disclosed
WO-1995028419-A1 CCK OR GASTRIN MODULATING 5-HETEROCYCLIC-1,5-BENZODIAZEPINES GLAXO WELLCOME INC. (US) 1995-10-26 WO disclosed
WO-1994024149-A1 1,5-BENZODIAZEPINE DERIVATIVES HAVING CCK ANTAGONISTIC OR AGONISTIC ACTIVITY GLAXO INC. (US) 1994-10-27 WO disclosed
US-4495351-A FOR UROGENVITAL DISORDERS VEB ARZNEIMITTELWERK DRESDEN (DD) 1985-01-22 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 (1 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-20090312334-A1 Immunomodulating Heterocyclic Compounds CD40, CD40LG, NGFR GFER 1223/4885SMN1; SMN2 4346/4885TP53 920/4885

“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.