SCHEMBL939710

SCHEMBL939710

NC(=O)c1cc2cc(CO)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 3/20 0.50
PYGL P06737 2/20 0.50
CFD P00746 1/20 0.48
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
CYP2D6 P10635 1/20 0.45
KDM4E B2RXH2 3/20 0.45
FLT3 P36888 2/20 0.45
ABL1 P00519 1/20 0.45
PDGFRB P09619 1/20 0.45
KIT P10721 1/20 0.45
BCR P11274 1/20 0.45
SMAD3 P84022 1/20 0.44
TBXAS1 P24557 1/20 0.43
ALDH1A1 P00352 2/20 0.42
F7 P08709 1/20 0.42
F3 P13726 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
SCHEMBL13554359 0.85 KDM4E (0.60) PYGLCFDMMP2MMP13SLC6A2
SCHEMBL8360314 0.85 SMAD3 (0.62) NHERF1PYGLKDM4EFLT3ABL1
SCHEMBL1616512 0.81 ALDH1A1 (0.49) NHERF1CFDMMP2MMP13SLC6A2
SCHEMBL22526431 0.81 CFD (0.44) NHERF1PYGLCFDMMP2MMP13
SCHEMBL1616735 0.80 CFD (0.44) NHERF1PYGLCFDMMP2MMP13
SCHEMBL3608666 0.77 HRH4 (0.56) CFDMMP2MMP13SLC6A2SLC6A4
SCHEMBL3282981 0.77 FLT3 (0.73) FLT3ABL1PDGFRBKITBCR
SCHEMBL1651087 0.77 MMP2 (0.66) CFDMMP2MMP13KDM4EFLT3
SCHEMBL13174359 0.77 KDM4E (0.72) MMP2MMP13SLC6A2SLC6A4SLC6A3
SCHEMBL5795136 0.76 KDM4E (0.48) NHERF1PYGLMMP2MMP13KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871794-B2 Small-molecule agonists for type-2 orexin receptor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-10-28 US disclosed
US-20140051700-A1 Small-molecule agonists for type-2 orexin receptor UNIVERSITY OF TEXAS, BOARD OF REGENTS 2014-02-20 US disclosed
US-8258163-B2 Small-molecule agonists for type-2 orexin receptor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-09-04 US disclosed
US-20110178079-A1 GUANIDINE COMPOUNDS AS ANESTHETICS AND FOR TREATMENT OF NERVOUS SYSTEM DISORDERS TAKTIX CORPORATION 2011-07-21 US disclosed
US-20110166181-A1 GUANIDINE COMPOUNDS AS ANESTHETICS AND FOR TREATMENT OF NERVOUS SYSTEM DISORDERS TAKTIX CORPORATION 2011-07-07 US disclosed
US-7868028-B2 Guanidine compounds as anesthetics and for treatment of nervous system disorders Drasner, Fred (US) 2011-01-11 US disclosed
US-20100150840-A1 Small-molecule agonists for type-2 orexin receptor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-06-17 US disclosed
US-20050228022-A1 blocking voltage-sensitive sodium channels of neurons in a mammal comprising administering 1-benzyl-2-imino-3-(2-hydroxy-3-phenoxypropyl)benzimidazole; analgesics; neuroprotectants; anticonvulsants TAKTIX CORPORATION (US) 2005-10-13 US disclosed
EP-1551397-A2 GUANIDINE COMPOUNDS AS ANESTHETICS AND FOR TREATMENT OF NERVOUS SYSTEM DISORDERS MediQuest Therapeutics, Inc. (US) 2005-07-13 EP disclosed
WO-2003105779-A2 GUANIDINE COMPOUNDS AS ANESTHETICS AND FOR TREATMENT OF NERVOUS SYSTEM DISORDERS TAKTIX CORPORATION (US) 2003-12-24 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 (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-20100150840-A1 Small-molecule agonists for type-2 orexin receptor HCRTR2, HCRTR1, OXTR NHERF1 1638/4885PYGL 932/4885CFD 4295/4885
US-20140051700-A1 Small-molecule agonists for type-2 orexin receptor HCRTR2, HCRTR1, OXTR NHERF1 1638/4885PYGL 932/4885CFD 4295/4885
US-20110166181-A1 GUANIDINE COMPOUNDS AS ANESTHETICS AND FOR TREATMENT OF NERVOUS SYSTEM DISORDERS CACNA1E, GRIA4, GRIA3 NHERF1 483/4885PYGL 2325/4885CFD 4680/4885
US-20050228022-A1 blocking voltage-sensitive sodium channels of neurons in a mammal comprising administering 1-benzyl-2-imino-3-(2-hydroxy-3-phenoxypropyl)benzimidazole; analgesics; neuroprotectants; anticonvulsants CACNA1E, CACNA1B, SCN1A NHERF1 102/4885PYGL 4237/4885CFD 4867/4885
US-20110178079-A1 GUANIDINE COMPOUNDS AS ANESTHETICS AND FOR TREATMENT OF NERVOUS SYSTEM DISORDERS CACNA1E, GRIA4, GRIA3 NHERF1 511/4885PYGL 2222/4885CFD 4712/4885

“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.