SCHEMBL939956

SCHEMBL939956

Cc1ccc([CH]Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.44
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
MDM2 Q00987 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACHE P22303 1/20 0.38
NPC1 O15118 2/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL939907 0.89 HSD17B10 (0.44) MAOBMAOAPPARGLMNAMEN1
SCHEMBL5545232 0.79 PPARG (0.47) RELADRD2DRD4DRD3MAPT
SCHEMBL9653611 0.79 TSHR (0.42) MAOBDRD2DRD4DRD3MAPT
SCHEMBL8695868 0.79 PPARG (0.47) DRD2DRD4DRD3MAPTTDP1
SCHEMBL9971885 0.73 MAOA (0.60) RELAMAOBMAOANPSR1MAPT
SCHEMBL9971855 0.73 MAOA (0.60) RELAMAOBMAOANPSR1MAPT
SCHEMBL22485553 0.73 MAOA (0.60) RELAMAOBMAOANPSR1MAPT
SCHEMBL11529471 0.73 MAOA (0.60) RELAMAOBMAOANPSR1MAPT
SCHEMBL424800 0.73 TEAD4 (0.58) MAOBMAOADRD2DRD4DRD3
SCHEMBL19616113 0.73 MAOB (0.50) MAOBMAOANPSR1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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

For each of this compound's patents that has machine-readable text (3 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-20110166181-A1 GUANIDINE COMPOUNDS AS ANESTHETICS AND FOR TREATMENT OF NERVOUS SYSTEM DISORDERS CACNA1E, GRIA4, GRIA3 RELA 894/4885MAOB 2215/4885MAOA 2941/4885
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 RELA 1529/4885MAOB 3046/4885MAOA 4025/4885
US-20110178079-A1 GUANIDINE COMPOUNDS AS ANESTHETICS AND FOR TREATMENT OF NERVOUS SYSTEM DISORDERS CACNA1E, GRIA4, GRIA3 RELA 999/4885MAOB 2313/4885MAOA 2947/4885

“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.