SCHEMBL472123

SCHEMBL472123

O=C(O)CNCc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
KDM4E B2RXH2 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
POLB P06746 2/20 0.55
CHRM2 P08172 1/20 0.54
GAA P10253 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HTT P42858 2/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.53
ALOX15 P16050 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPK14 Q16539 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL8507959 0.92 CHRM2 (0.58) SMN1; SMN2KDM4ENPC1RAB9APOLB
SCHEMBL4015514 0.89 SMN1; SMN2 (0.57) SMN1; SMN2KDM4ENPC1RAB9APOLB
Hydrochloric Acid SCHEMBL4014821 0.88 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ENPC1RAB9APOLB
SCHEMBL29832698 0.87 SMN1; SMN2 (0.62) SMN1; SMN2KDM4ENPC1RAB9APOLB
SCHEMBL4016034 0.86 SMN1; SMN2 (0.61) SMN1; SMN2KDM4ENPC1RAB9APOLB
SCHEMBL12831873 0.84 SMN1; SMN2 (0.59) SMN1; SMN2KDM4ENPC1RAB9APOLB
SCHEMBL1303746 0.84 SMN1; SMN2 (0.59) SMN1; SMN2KDM4ENPC1RAB9APOLB
SCHEMBL3395752 0.84 SMN1; SMN2 (0.59) SMN1; SMN2KDM4ENPC1RAB9APOLB
SCHEMBL10884039 0.84 SMN1; SMN2 (0.59) SMN1; SMN2KDM4ENPC1RAB9APOLB
Acetic Acid SCHEMBL19585270 0.84 SMN1; SMN2 (0.62) SMN1; SMN2KDM4ENPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281789-A1 PHOTODYNAMIC THERAPY COMPOSITION CASE WESTERN RESERVE UNIVERISTY 2017-10-05 US claimed
CN-103113415-B Thermostability Ni title complex with fluorescence property and preparation method thereof Changzhou University (CN) 2015-10-28 CN claimed
US-8877970-B2 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-04 US claimed
EP-2240171-B1 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARM INC (US) 2014-08-13 EP claimed
CN-103113415-A Thermally stable Ni coordination compound with fluorescence property and preparation method thereof UNIV CHANGZHOU 2013-05-22 CN claimed
EP-2349995-A1 SELECTIVE SEPRASE INHIBITORS Molecular Insight Pharmaceuticals, Inc. (US) 2011-08-03 EP claimed
EP-2240171-A2 INHIBITORS OF CARBONIC ANHYDRASE IX Molecular Insight Pharmaceuticals, Inc. (US) 2010-10-20 EP claimed
US-20100098633-A1 SELECTIVE SEPRASE INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-04-22 US claimed
WO-2010036814-A1 SELECTIVE SEPRASE INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-04-01 WO claimed
US-20090180951-A1 INHIBITORS OF INTEGRIN VLA-4 MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-16 US claimed
WO-2009084737-A1 COMPOUND HAVING ACTIVITY TO SUPPRESS DEGRANULATION AND CYTOKINE PRODUCTION AND USE THEREOF INTERPROTEIN CORPORATION (JP) 2009-07-09 WO claimed
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-09 US claimed
WO-2009076434-A1 INHIBITORS OF INTEGRIN VLA-4 MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2009-06-18 WO claimed
EP-2061518-A2 RADIOIMAGING MOIETIES COUPLED TO PEPTIDASE-BINDING MOIETIES FOR IMAGING TISSUES AND ORGANS THAT EXPRESS PEPTIDASES Molecular Insight Pharmaceuticals, Inc. (US) 2009-05-27 EP claimed
US-20080213172-A1 RADIOIMAGING MOIETIES COUPLED TO PEPTIDEASE-BINDING MOIETIES FOR IMAGING TISSUES AND ORGANS THAT EXPRESS PEPTIDASES MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2008-09-04 US claimed
WO-2008028000-A2 RADIOIMAGING MOIETIES COUPLED TO PEPTIDASE-BINDING MOIETIES FOR IMAGING TISSUES AND ORGANS THAT EXPRESS PEPTIDASES MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2008-03-06 WO claimed
EP-1680664-A2 REACTIVE POLYURETHANE-BASED POLAMERS Ciphergen Biosystems, Inc. (US) 2006-07-19 EP claimed
US-20050112650-A1 Reactive polyurethane-based polymers CIPHERGEN BIOSYSTEMS, INC. (US) 2005-05-26 US claimed
WO-2005039724-A2 REACTIVE POLYURETHANE-BASED POLAMERS CIPHERGEN BIOSYSTEM, INC. (US) 2005-05-06 WO claimed
WO-2003086476-A1 TECHNETIUM-LABELED ROTENONE DERIVATIVES, AND METHODS OF USE THEREOF BIOSTREAM, INC. (US) 2003-10-23 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20170281789-A1 PHOTODYNAMIC THERAPY COMPOSITION FAP, PPIC, CD47 SMN1; SMN2 2878/4885KDM4E 4225/4885NPC1 573/4885
US-20080213172-A1 RADIOIMAGING MOIETIES COUPLED TO PEPTIDEASE-BINDING MOIETIES FOR IMAGING TISSUES AND ORGANS THAT EXPRESS PEPTIDASES LAP3, DNPEP, ACE SMN1; SMN2 3297/4885KDM4E 2306/4885NPC1 3578/4885
US-20100098633-A1 SELECTIVE SEPRASE INHIBITORS SLC6A7, DNPEP, PREP SMN1; SMN2 1942/4885KDM4E 1495/4885NPC1 623/4885
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX CA9, CA12, CA1 SMN1; SMN2 3298/4885KDM4E 2175/4885NPC1 3194/4885
US-20090180951-A1 INHIBITORS OF INTEGRIN VLA-4 ITGA1, ITGB1, ITGA4 SMN1; SMN2 4206/4885KDM4E 1002/4885NPC1 2824/4885

“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.