SCHEMBL1921316

SCHEMBL1921316

C[C](c1ccccn1)c1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
KDM4E B2RXH2 4/20 0.61
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 2/20 0.56
P4HTM Q9NXG6 2/20 0.56
NAPRT Q6XQN6 1/20 0.56
KMT2A Q03164 3/20 0.50
GSK3B P49841 1/20 0.48
TOP2A P11388 1/20 0.46
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GAA P10253 2/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL5162864 0.88 ALDH1A1 (0.59) ALDH1A1KDM4ECES2CES1L3MBTL1
SCHEMBL3816367 0.86 KMT2A (0.59) ALDH1A1KDM4ECES2CES1L3MBTL1
SCHEMBL1515056 0.84
SCHEMBL28251547 0.82 ALDH1A1 (0.64) ALDH1A1KDM4ECES2CES1L3MBTL1
SCHEMBL947176 0.82
SCHEMBL1930639 0.82
SCHEMBL3813782 0.81 CTNNB1 (0.58) ALDH1A1KDM4ECES2CES1L3MBTL1
SCHEMBL2644284 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ECES2CES1L3MBTL1
SCHEMBL13130702 0.80 ALDH1A1 (0.61) ALDH1A1KDM4ECES2CES1L3MBTL1
SCHEMBL13130697 0.80 ALDH1A1 (0.61) ALDH1A1KDM4ECES2CES1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420684-B2 imidazole derivatives; Alzheimer's Disease, Down syndrome, Huntington's Disease; hypotensive agents; sleeping/eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 4-Cyclopropylimino-5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-yl-propyl)-imidazolidin-2-one PROBIODRUG AG (DE) 2013-04-16 US disclosed
US-8263548-B2 Metal-binding compounds and uses therefor DMI BIOSCIENCES, INC. 2012-09-11 US disclosed
US-8188215-B2 Metal-binding compounds and uses therefor AMPIO PHARMACEUTICALS, INC. 2012-05-29 US disclosed
US-20110263817-A1 METAL-BINDING COMPOUNDS AND USES THEREFOR AMPIO PHARMACEUTICALS, INC. 2011-10-27 US disclosed
US-8017728-B2 Metal-binding compounds and uses therefor AMPIO PHARMACEUTICALS, INC. 2011-09-13 US disclosed
US-20110212902-A1 METAL-BINDING COMPOUNDS AND USES THEREFOR AMPIO PHARMACEUTICALS, INC. 2011-09-01 US disclosed
US-20110212903-A1 METAL-BINDING COMPOUNDS AND USES THEREFOR AMPIO PHARMACEUTICALS, INC. 2011-09-01 US disclosed
US-7973008-B2 Metal-binding compounds and uses therefor DMI BIOSCIENCES, INC. 2011-07-05 US disclosed
EP-2327713-A1 Metal-binding compounds and uses therefor DMI Biosciences, Inc. (US) 2011-06-01 EP disclosed
US-20100249016-A1 METAL-BINDING COMPOUNDS AND USES THEREFOR DMI BIOSCIENCES, INC. (US) 2010-09-30 US disclosed
WO-2003043518-A2 METHODS AND PRODUCTS FOR ORAL CARE DMI BIOSCIENCES, INC. (US) 2003-05-30 WO disclosed
US-20030060408-A1 Metal-binding compounds and uses therefor AMPIO PHARMACEUTICALS, INC. 2003-03-27 US disclosed
US-20030055003-A1 Use of copper chelators to inhibit the inactivation of protein C AMPIO PHARMACEUTICALS, INC. 2003-03-20 US disclosed
WO-2003007686-A2 USE OF COPPER CHELATORS TO INHIBIT THE INACTIVATION OF PROTEIN C DMI BIOSCIENCES, INC. (US) 2003-01-30 WO disclosed
CN-1390231-A Metal-binding compound and use thereof DMI BIOLOG SCIENCE CO (US) 2003-01-08 CN disclosed
WO-2002064620-A2 METAL-BINDING COMPOUNDS AND USES THEREFOR DMI BIOSCIENCES, INC. (US) 2002-08-22 WO disclosed
EP-1220870-A1 METAL-BINDING COMPOUNDS AND USES THEREFOR DMI Biosciences, Inc. (US) 2002-07-10 EP disclosed
EP-1165738-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2002-01-02 EP disclosed
WO-2001025265-A1 METAL-BINDING COMPOUNDS AND USES THEREFOR DMI BIOSCIENCES, INC. (US) 2001-04-12 WO disclosed
WO-2000060044-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2000-10-12 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 (2 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-20030055003-A1 Use of copper chelators to inhibit the inactivation of protein C APC, PROC, CDC20 ALDH1A1 2830/4885KDM4E 3601/4885CES2 3588/4885
US-20030060408-A1 Metal-binding compounds and uses therefor SLC39A11, ROS1, NOX4 ALDH1A1 538/4885KDM4E 3547/4885CES2 4309/4885

“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.