SCHEMBL4375388

SCHEMBL4375388

Cc1ccc2c(C)nc(NC(=N)NC(=O)Cc3ccc(Cl)cc3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
CTNNB1 P35222 2/20 0.44
TCF7L2 Q9NQB0 2/20 0.44
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDR P35968 1/20 0.41
CNR2 P34972 1/20 0.40
P2RY14 Q15391 1/20 0.39

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
SCHEMBL27341471 0.83 ALDH1A1 (0.48) TP53ALDH1A1MEN1KMT2AKDM4E
SCHEMBL27343466 0.78 SMN1; SMN2 (0.45) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL27343343 0.78 SMN1; SMN2 (0.45) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL4375390 0.76 MAPT (0.53) TP53ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6183774 0.74 KMT2A (0.51) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL27343471 0.73 SMN1; SMN2 (0.45) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL7677878 0.71 GRM2 (0.43) TP53CTNNB1TCF7L2ALDH1A1MEN1
SCHEMBL27343700 0.70 MAPT (0.50) CTNNB1TCF7L2ALDH1A1MEN1KMT2A
SCHEMBL3469723 0.70 KMT2A (0.58) TP53ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4310110 0.70 MAPT (0.58) TP53CTNNB1TCF7L2ALDH1A1MEN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073611-A1 Compounds capable of modulating the activity of multidrug transporters and therapeutic use of the same BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, THE 2003-04-17 US claimed
WO-2002076439-A2 COMPOUNDS CAPABLE OF MODULATING THE ACTIVITY OF MULTIDRUG TRANSPORTERS AND THERAPEUTIC USE OF THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2002-10-03 WO claimed
US-20090325906-A1 Methods and compositions for therapeutic treatment LIMERICK BIOPHARMA, INC. 2009-12-31 US disclosed
EP-2066331-A2 METHODS FOR TREATING PAIN WITH REDUCED NUASEA AND VOMITING Limerick BioPharma, Inc. (US) 2009-06-10 EP disclosed
US-20090088394-A1 METHODS AND COMPOSITIONS FOR THERAPEUTIC TREATMENT ROBBINS WENDYE 2009-04-02 US disclosed
US-20090076053-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN EFFLUX TECHNOLOGY, INC. 2009-03-19 US disclosed
WO-2008070346-A9 METHODS FOR TREATING PAIN WITH REDUCED NUASEA AND VOMITING LIMERICK BIOPHARMA INC (US) 2008-08-14 WO disclosed
US-20080161248-A1 Methods and Compositions for Therapeutic Treatment LIMERICK BIOPHARMA, INC. 2008-07-03 US disclosed
WO-2008070346-A2 METHODS FOR TREATING PAIN WITH REDUCED NUASEA AND VOMITING LIMERICK BIOPHARMA, INC. (US) 2008-06-12 WO disclosed
US-20070087977-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN LIMERICK BIOPHARMA, INC. 2007-04-19 US disclosed
US-20060111308-A1 Methods and compositions for therapeutic treatment LIMERICK NEUROSCIENCES, INC. 2006-05-25 US disclosed
US-20060111307-A1 Methods and compositions for treating pain LIMERICK NEUROSCIENCES, INC. 2006-05-25 US disclosed
US-6861431-B2 Compounds capable of modulating the activity of multidrug transporters and therapeutic use of the same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-03-01 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 (8 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-20060111307-A1 Methods and compositions for treating pain PGF, FABP7, ALPP TP53 4553/4885CTNNB1 1845/4885TCF7L2 3251/4885
US-20090325906-A1 Methods and compositions for therapeutic treatment SLC2A1, SLC2A2, SLC2A3 TP53 2338/4885CTNNB1 2995/4885TCF7L2 3807/4885
US-20070087977-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN PGF, FABP7, ALPP TP53 4553/4885CTNNB1 1845/4885TCF7L2 3251/4885
US-20030073611-A1 Compounds capable of modulating the activity of multidrug transporters and therapeutic use of the same ABCB1, SLC47A1, SLC47A2 TP53 2635/4885CTNNB1 4258/4885TCF7L2 3105/4885
US-20090088394-A1 METHODS AND COMPOSITIONS FOR THERAPEUTIC TREATMENT PGF, FABP7, ALPP TP53 4245/4885CTNNB1 2903/4885TCF7L2 3523/4885
US-20090076053-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN PGF, FABP7, ALPP TP53 4553/4885CTNNB1 1845/4885TCF7L2 3251/4885
US-20060111308-A1 Methods and compositions for therapeutic treatment PGF, FABP7, ALPP TP53 4245/4885CTNNB1 2903/4885TCF7L2 3523/4885
US-20080161248-A1 Methods and Compositions for Therapeutic Treatment PGF, ALPP, CHP1 TP53 3327/4885CTNNB1 3152/4885TCF7L2 2988/4885

“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.