SCHEMBL4375390

SCHEMBL4375390

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
KDM4E B2RXH2 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MPO P05164 2/20 0.52
MAPK1 P28482 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RAB9A P51151 3/20 0.48
RECQL P46063 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
PIK3CA P42336 1/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43
RAD52 P43351 1/20 0.43
GRM2 Q14416 1/20 0.43
ADORA2A P29274 1/20 0.42

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
SCHEMBL4375388 0.76 TP53 (0.46) MAPTKDM4EKMT2AALDH1A1TP53
SCHEMBL27688040 0.72 RAD52 (0.77) MAPTKDM4ESMN1; SMN2MPOMAPK1
SCHEMBL7677878 0.70 GRM2 (0.43) MPOKMT2AALDH1A1TP53RAB9A
SCHEMBL4310110 0.67 MAPT (0.58) MAPTKDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL4310107 0.67 MAPT (0.58) MAPTKDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL4161901 0.62 LMNA (0.53) SMN1; SMN2KMT2AALDH1A1RAB9APOLB
SCHEMBL8207778 0.62 ALDH1A1 (0.57) SMN1; SMN2KMT2AALDH1A1RAB9APOLB
SCHEMBL10308967 0.62 GRM2 (0.50) MAPTKDM4ESMN1; SMN2MPOKMT2A
SCHEMBL4095314 0.60 KMT2A (0.66) MAPTKDM4ESMN1; SMN2KMT2AHPGD
SCHEMBL4095316 0.60 KMT2A (0.66) MAPTKDM4ESMN1; SMN2KMT2AHPGD

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-20060111307-A1 Methods and compositions for treating pain LIMERICK NEUROSCIENCES, INC. 2006-05-25 US disclosed
US-20060111308-A1 Methods and compositions for therapeutic treatment 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 MAPT 911/4885KDM4E 4712/4885SMN1; SMN2 772/4885
US-20090325906-A1 Methods and compositions for therapeutic treatment SLC2A1, SLC2A2, SLC2A3 MAPT 2244/4885KDM4E 4285/4885SMN1; SMN2 4592/4885
US-20070087977-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN PGF, FABP7, ALPP MAPT 911/4885KDM4E 4712/4885SMN1; SMN2 772/4885
US-20030073611-A1 Compounds capable of modulating the activity of multidrug transporters and therapeutic use of the same ABCB1, SLC47A1, SLC47A2 MAPT 2208/4885KDM4E 3995/4885SMN1; SMN2 4267/4885
US-20090088394-A1 METHODS AND COMPOSITIONS FOR THERAPEUTIC TREATMENT PGF, FABP7, ALPP MAPT 895/4885KDM4E 4598/4885SMN1; SMN2 1243/4885
US-20090076053-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN PGF, FABP7, ALPP MAPT 911/4885KDM4E 4712/4885SMN1; SMN2 772/4885
US-20060111308-A1 Methods and compositions for therapeutic treatment PGF, FABP7, ALPP MAPT 895/4885KDM4E 4598/4885SMN1; SMN2 1243/4885
US-20080161248-A1 Methods and Compositions for Therapeutic Treatment PGF, ALPP, CHP1 MAPT 1103/4885KDM4E 4212/4885SMN1; SMN2 2018/4885

“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.